SCHEMBL10045169

SCHEMBL10045169

CCC(CC)CNCCCCNCCCNCC(CC)CC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 3/20 0.50
CYP1A2 P05177 3/20 0.50
TSHR P16473 4/20 0.46
ALDH1A1 P00352 3/20 0.46
CYP3A4 P08684 1/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
GLA P06280 1/20 0.46
KDM1A O60341 3/20 0.36
GRIN1 Q05586 2/20 0.35
GRIN2A Q12879 2/20 0.35
CA12 O43570 3/20 0.35
CA2 P00918 3/20 0.35
CA4 P22748 3/20 0.35
CA6 P23280 3/20 0.35
CA5A P35218 3/20 0.35
CA7 P43166 3/20 0.35
CA9 Q16790 3/20 0.35
CA14 Q9ULX7 3/20 0.35
CA5B Q9Y2D0 3/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL10045177 1.00 CYP2C19 (0.50) CYP2C19CYP1A2TSHRALDH1A1CYP3A4
SCHEMBL10045097 0.97 ALDH1A1 (0.48) CYP2C19CYP1A2TSHRALDH1A1CYP3A4
SCHEMBL10045168 0.93 CYP2C19 (0.64) CYP2C19CYP1A2TSHRALDH1A1CYP3A4
SCHEMBL10045184 0.93 CYP2C19 (0.64) CYP2C19CYP1A2TSHRALDH1A1CYP3A4
SCHEMBL10045135 0.90 CYP2C19 (0.62) CYP2C19CYP1A2TSHRALDH1A1CYP3A4
SCHEMBL13865375 0.86 CYP2C19 (0.42) CYP2C19CYP1A2TSHRALDH1A1CYP3A4
SCHEMBL19458562 0.86 CA12 (0.50) CYP2C19CYP1A2TSHRALDH1A1CYP3A4
SCHEMBL20922169 0.85 CYP2C19 (0.59) CYP2C19CYP1A2TSHRALDH1A1CYP3A4
SCHEMBL11663277 0.85 TSHR (0.55) TSHRALDH1A1CYP3A4ANPEPERAP2
SCHEMBL8528177 0.84 ALDH1A1 (0.58) CYP2C19CYP1A2TSHRALDH1A1CYP3A4

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021195723-A1 \"METHODS FOR TREATMENT OF CORONAVIRUS INFECTIONS\ THE COUNCIL OF THE QUEENSLAND INSTITUTE OF MEDICAL RESEARCH (AU) 2021-10-07 WO disclosed
US-20210186905-A1 ENHANCING T-CELL FUNCTION AND TREATING A T-CELL DYSFUNCTIONAL DISORDER WITH A COMBINATION OF AN LSD INHIBITOR AND A PD-1 BINDING ANTAGONIST EPIAXIS THERAPEUTICS PTY LTD (AU) 2021-06-24 US disclosed
US-20210121496-A1 METHODS AND COMPOSITIONS FOR MODULATING CANCER STEM CELLS EpiAxis Therapeutics Pty Ltd. (AU) 2021-04-29 US disclosed
US-20200289437-A1 Compositions for Modulating Cancer Stem Cells and Uses Therefor EpiAxis Therapeutics Pty Ltd. (AU) 2020-09-17 US disclosed
US-10220053-B2 Methods and compositions for modulating cancer stem cells UNIVERSITY OF CANBERRA (AU) 2019-03-05 US disclosed
US-20170266140-A1 Compositions for Modulating Cancer Stem Cells and Uses Therefor EpiAxis Therapeutics Pty Ltd. (AU) 2017-09-21 US disclosed
US-20170266140-A1 Compositions for Modulating Cancer Stem Cells and Uses Therefor EpiAxis Therapeutics Pty Ltd. (AU) 2017-09-21 US disclosed
US-20160143938-A1 Methods and compositions for modulating cancer stem cells EpiAxis Therapeutics Pty Ltd. (AU) 2016-05-26 US disclosed
US-20160143938-A1 Methods and compositions for modulating cancer stem cells EpiAxis Therapeutics Pty Ltd. (AU) 2016-05-26 US disclosed
US-20120108500-A1 Compositions and Methods for Modulating Immunodeficiency Virus Transcription THE J. DAVID GLADSTONE INSTITUTES 2012-05-03 US disclosed
US-20120108500-A1 Compositions and Methods for Modulating Immunodeficiency Virus Transcription THE J. DAVID GLADSTONE INSTITUTES 2012-05-03 US disclosed
US-8148577-B2 Polyamines useful as anti-parasitic and anti-cancer therapeutics and as lysine-specific demethylase inhibitors THE JOHNS HOPKINS UNIVERSITY (US) 2012-04-03 US disclosed
US-8148577-B2 Polyamines useful as anti-parasitic and anti-cancer therapeutics and as lysine-specific demethylase inhibitors THE JOHNS HOPKINS UNIVERSITY (US) 2012-04-03 US disclosed
US-20100273745-A1 POLYAMINES USEFUL AS ANTI-PARASITIC AND ANTI-CANCER THERAPEUTICS AND AS LYSINE-SPECIFIC DEMETHYLASE INHIBITORS THE JOHNS HOPKINS UNIVERSITY (US) 2010-10-28 US disclosed
US-20100273745-A1 POLYAMINES USEFUL AS ANTI-PARASITIC AND ANTI-CANCER THERAPEUTICS AND AS LYSINE-SPECIFIC DEMETHYLASE INHIBITORS THE JOHNS HOPKINS UNIVERSITY (US) 2010-10-28 US disclosed
US-20070208082-A1 POLYAMINES USEFUL AS ANTI-PARASITIC AND ANTI-CANCER THERAPEUTICS AND AS LYSINE-SPECIFIC DEMETHYLASE INHIBITORS JOHN HOPKINS UNIVERSITY (US) 2007-09-06 US disclosed
US-20070208082-A1 POLYAMINES USEFUL AS ANTI-PARASITIC AND ANTI-CANCER THERAPEUTICS AND AS LYSINE-SPECIFIC DEMETHYLASE INHIBITORS JOHN HOPKINS UNIVERSITY (US) 2007-09-06 US disclosed
WO-2007021839-A2 POLYAMINES USEFUL AS ANTI-PARASITIC AND ANTI-CANCER THERAPEUTICS AND AS LYSINE-SPECIFIC DEMETHYLASE INHIBITORS JOHNS HOPKINS UNIVERSITY (US) 2007-02-22 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (9 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20070208082-A1 POLYAMINES USEFUL AS ANTI-PARASITIC AND ANTI-CANCER THERAPEUTICS AND AS LYSINE-SPECIFIC DEMETHYLASE INHIBITORS KDM1A, JMJD6, SRM CYP2C19 4039/4885CYP1A2 3343/4885TSHR 3976/4885
US-20170266140-A1 Compositions for Modulating Cancer Stem Cells and Uses Therefor PRKCQ, PRKCG, PRKCH CYP2C19 4713/4885CYP1A2 4527/4885TSHR 4333/4885
US-20160143938-A1 Methods and compositions for modulating cancer stem cells BMI1, KDM1B, KDM6B CYP2C19 4845/4885CYP1A2 4567/4885TSHR 4190/4885
US-10220053-B2 Methods and compositions for modulating cancer stem cells BMI1, KDM1B, KDM6B CYP2C19 4845/4885CYP1A2 4567/4885TSHR 4190/4885
US-20100273745-A1 POLYAMINES USEFUL AS ANTI-PARASITIC AND ANTI-CANCER THERAPEUTICS AND AS LYSINE-SPECIFIC DEMETHYLASE INHIBITORS KDM1A, JMJD6, SRM CYP2C19 4039/4885CYP1A2 3343/4885TSHR 3976/4885
US-20210186905-A1 ENHANCING T-CELL FUNCTION AND TREATING A T-CELL DYSFUNCTIONAL DISORDER WITH A COMBINATION OF AN LSD INHIBITOR AND A PD-1 BINDING ANTAGONIST PDCD1, CD274, PDCD1LG2 CYP2C19 1198/4885CYP1A2 1176/4885TSHR 1775/4885
US-20200289437-A1 Compositions for Modulating Cancer Stem Cells and Uses Therefor PRKCQ, PRKCG, PRKCH CYP2C19 4713/4885CYP1A2 4527/4885TSHR 4333/4885
US-20210121496-A1 METHODS AND COMPOSITIONS FOR MODULATING CANCER STEM CELLS BMI1, KDM1B, KDM6B CYP2C19 4845/4885CYP1A2 4567/4885TSHR 4190/4885
US-20120108500-A1 Compositions and Methods for Modulating Immunodeficiency Virus Transcription KDM3B, DNMT3B, KDM1B CYP2C19 4726/4885CYP1A2 3969/4885TSHR 4628/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.