SCHEMBL1683871

SCHEMBL1683871

COc1ccc(C(=O)C2COC(c3ccccc3)N2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CES2 O00748 1/20 0.44
▸ CES1 P23141 1/20 0.44
▸ HSD11B1 P28845 1/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ NPC1 O15118 2/20 0.43
▸ RAB9A P51151 2/20 0.43
▸ ALDH1A1 P00352 5/20 0.42
▸ HPGD P15428 2/20 0.42
▸ LMNA P02545 1/20 0.42
▸ HIF1A Q16665 1/20 0.42
▸ KMT2A Q03164 3/20 0.42
▸ GAA P10253 2/20 0.42
▸ POLB P06746 1/20 0.42
▸ MAPT P10636 1/20 0.41
▸ CA1 P00915 1/20 0.41
▸ CA2 P00918 1/20 0.41
▸ TSHR P16473 1/20 0.40
▸ RECQL P46063 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ EDNRA P25101 1/20 0.40

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
SCHEMBL1683797 0.89 ALDH1A1 (0.39) L3MBTL1NPC1RAB9AALDH1A1KMT2A
SCHEMBL1683898 0.86 NPC1 (0.45) CES2CES1HSD11B1L3MBTL1NPC1
SCHEMBL1684009 0.86 EPHX1 (0.45) L3MBTL1ALDH1A1HPGDKMT2AMAPT
SCHEMBL1683646 0.84 CA12 (0.44) NPC1RAB9AALDH1A1HPGDHIF1A
SCHEMBL21597980 0.82 EDNRA (0.42) L3MBTL1RAB9AALDH1A1KMT2AGAA
SCHEMBL1683813 0.81 ALDH1A1 (0.44) L3MBTL1ALDH1A1KMT2AMAPTSMN1; SMN2
SCHEMBL1683621 0.80 PIN1 (0.42) HSD11B1L3MBTL1NPC1RAB9AALDH1A1
SCHEMBL21597984 0.76 TSHR (0.41) L3MBTL1RAB9AALDH1A1LMNAHIF1A
SCHEMBL1683617 0.75 CES2 (0.45) CES2CES1HSD11B1NPC1RAB9A
SCHEMBL8501615 0.75 ALDH1A1 (0.46) NPC1RAB9AALDH1A1KMT2AGAA

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-10865196-B2 Compounds for treatment of cancer UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION (US) 2020-12-15 — — US disclosed
US-10301285-B2 Compounds for treatment of cancer GTX, INC. (US) 2019-05-28 — — US disclosed
US-20190092755-A1 COMPOUNDS FOR TREATMENT OF CANCER ONCTERNAL THERAPEUTICS, INC 2019-03-28 — — US disclosed
US-20180093971-A1 COMPOUNDS FOR TREATMENT OF CANCER ONCTERNAL THERAPEUTICS, INC 2018-04-05 — — US disclosed
EP-3289876-A1 COMPOUNDS FOR TREATMENT OF CANCER University of Tennessee Research Foundation (US) 2018-03-07 — — EP disclosed
EP-2959900-A1 COMPOUND FOR TREATMENT OF CANCER University of Tennessee Research Foundation (US) 2015-12-30 — — EP disclosed
US-9029408-B2 Compounds for treatment of cancer GTX, INC. (US) 2015-05-12 — — US disclosed
US-20140213623-A1 COMPOUNDS FOR TREATMENT OF CANCER GTX, INC. (US) 2014-07-31 — — US disclosed
US-8592465-B2 Compounds for treatment of cancer UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION (US) 2013-11-26 — — US disclosed
EP-2303021-A2 COMPOUNDS FOR THE TREATMENT OF CANCER University of Tennessee Research Foundation (US) 2011-04-06 — — EP disclosed
WO-2010074776-A2 COMPOUNDS FOR THE TREATMENT OF CANCER THE UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION (US) 2010-07-01 — — WO disclosed
US-20090326020-A1 COMPOUNDS FOR TREATMENT OF CANCER UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION (US) 2009-12-31 — — 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 (6 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-20090326020-A1 COMPOUNDS FOR TREATMENT OF CANCER HCCS, NQO1, CCNY CES2 1498/4885CES1 807/4885HSD11B1 397/4885
US-10865196-B2 Compounds for treatment of cancer CYP19A1, CYP17A1, SOX18 CES2 2910/4885CES1 3336/4885HSD11B1 77/4885
US-10301285-B2 Compounds for treatment of cancer CYP19A1, CYP17A1, SOX18 CES2 2910/4885CES1 3336/4885HSD11B1 77/4885
US-20140213623-A1 COMPOUNDS FOR TREATMENT OF CANCER CYP19A1, CYP17A1, SOX18 CES2 2910/4885CES1 3336/4885HSD11B1 77/4885
US-20180093971-A1 COMPOUNDS FOR TREATMENT OF CANCER CYP19A1, CYP17A1, SOX18 CES2 2910/4885CES1 3336/4885HSD11B1 77/4885
US-20190092755-A1 COMPOUNDS FOR TREATMENT OF CANCER CYP19A1, CYP17A1, SOX18 CES2 2910/4885CES1 3336/4885HSD11B1 77/4885

“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.

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