SCHEMBL10045282

SCHEMBL10045282

Cc1ccc(C(C)(c2ccccc2)c2ccccc2Cl)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNN4 O15554 3/20 0.48
ESR1 P03372 2/20 0.42
ESR2 Q92731 2/20 0.42
HTR2A P28223 2/20 0.41
HTR2C P28335 2/20 0.41
OPRK1 P41145 2/20 0.41
KCNH2 Q12809 2/20 0.41
ADRA1A P35348 1/20 0.41
TSHR P16473 4/20 0.40
KIF11 P52732 3/20 0.39
KCNA3 P22001 2/20 0.38
HSD11B1 P28845 3/20 0.38
MEN1 O00255 2/20 0.37
MAPK1 P28482 2/20 0.37
HTT P42858 2/20 0.37
KMT2A Q03164 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
NPSR1 Q6W5P4 2/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
RAB9A P51151 2/20 0.37

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
SCHEMBL18827503 0.90 KCNN4 (0.57) KCNN4ESR1ESR2HTR2AHTR2C
SCHEMBL4118202 0.81 KCNN4 (0.48) KCNN4HTR2AHTR2COPRK1KCNH2
SCHEMBL14156831 0.80 CYP3A4 (0.55) KCNN4HTR2AHTR2COPRK1KCNH2
SCHEMBL19200980 0.80 ESR1 (0.62) ESR1ESR2TSHRKIF11MEN1
SCHEMBL8784133 0.80 ESR1 (0.62) ESR1ESR2TSHRKIF11MEN1
SCHEMBL7916602 0.79 ESR1 (0.59) KCNN4ESR1ESR2HTR2AHTR2C
SCHEMBL4470543 0.77 KCNN4 (0.42) KCNN4HTR2AHTR2COPRK1KCNH2
SCHEMBL14619460 0.76 KCNN4 (0.47) KCNN4HTR2AHTR2COPRK1KCNH2
SCHEMBL16103914 0.76 KCNN4 (0.43) KCNN4HTR2AHTR2COPRK1KCNH2
SCHEMBL12555039 0.76 KCNN4 (0.47) KCNN4HTR2AHTR2COPRK1KCNH2

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9744147-B2 Isoprenyl compounds and methods thereof SIGNUM BIOSCIENCES, INC. (US) 2017-08-29 US disclosed
US-20160361283-A1 Isoprenyl Compounds and Methods Thereof SIGNUM DERMALOGIX, INC. 2016-12-15 US disclosed
EP-1940773-B1 POLYAMINES USEFUL AS ANTI-PARASITIC AND ANTI-CANCER THERAPEUTICS AND AS LYSINE-SPECIFIC DEMETHYLASE INHIBITORS UNIV JOHNS HOPKINS (US) 2015-03-18 EP 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-20110092601-A1 LYSINE-SPECIFIC DEMETHYLASE INHIBITORS THE JOHNS HOPKINS UNIVERSITY (US) 2011-04-21 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-20090182019-A1 Histone deacetylase inhibitors THE JOHNS HOPKINS UNIVERSITY (US) 2009-07-16 US disclosed
US-20090182019-A1 Histone deacetylase inhibitors THE JOHNS HOPKINS UNIVERSITY (US) 2009-07-16 US disclosed
US-7351771-B2 Process for regenerating 2-chlorotrityl resins HOFFMANN-LA ROCHE INC. (US) 2008-04-01 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

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

For each of this compound's patents that has machine-readable text (5 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 KCNN4 2716/4885ESR1 4388/4885ESR2 4057/4885
US-20100273745-A1 POLYAMINES USEFUL AS ANTI-PARASITIC AND ANTI-CANCER THERAPEUTICS AND AS LYSINE-SPECIFIC DEMETHYLASE INHIBITORS KDM1A, JMJD6, SRM KCNN4 2716/4885ESR1 4388/4885ESR2 4057/4885
US-20110092601-A1 LYSINE-SPECIFIC DEMETHYLASE INHIBITORS KDM4E, KDM3A, KDM2A KCNN4 2683/4885ESR1 1084/4885ESR2 1599/4885
US-20160361283-A1 Isoprenyl Compounds and Methods Thereof ALOX15B, ALOX15, ALOX5 KCNN4 4739/4885ESR1 3081/4885ESR2 1450/4885
US-20090182019-A1 Histone deacetylase inhibitors HDAC1, HDAC2, HDAC3 KCNN4 4796/4885ESR1 3899/4885ESR2 2432/4885

“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.