SCHEMBL4262796

SCHEMBL4262796

Cc1c(-c2ccccc2)sc2ccccc12

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ROCK1 Q13464 3/20 0.49
▸ GPR3 P46089 1/20 0.46
▸ L3MBTL1 Q9Y468 2/20 0.45
▸ PRNP P04156 1/20 0.44
▸ RXFP1 Q9HBX9 1/20 0.44
▸ GRM6 O15303 3/20 0.43
▸ ALDH1A1 P00352 1/20 0.41
▸ ALOX5 P09917 1/20 0.40
▸ LIMK1 P53667 1/20 0.40
▸ HSD11B1 P28845 1/20 0.40
▸ ATM Q13315 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ CNR1 P21554 1/20 0.40
▸ CNR2 P34972 1/20 0.40
▸ GRM5 P41594 1/20 0.39

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
SCHEMBL10929268 0.85 TDP1 (0.46) GPR3L3MBTL1PRNPRXFP1GRM6
SCHEMBL14178295 0.83 ROCK1 (0.40) ROCK1GPR3L3MBTL1PRNPRXFP1
SCHEMBL6257040 0.79 ROCK1 (0.40) ROCK1GPR3L3MBTL1PRNPRXFP1
SCHEMBL13477894 0.78 ROCK1 (0.46) ROCK1GPR3L3MBTL1ALDH1A1ATM
SCHEMBL6076483 0.78 ROCK1 (0.72) ROCK1L3MBTL1
SCHEMBL13810540 0.78 BCKDK (0.40) ROCK1GRM6ALDH1A1ALOX5TDP1
SCHEMBL13522979 0.77 ROCK1 (0.44) ROCK1GPR3L3MBTL1PRNPRXFP1
SCHEMBL18002934 0.77 BRD4 (0.43) ROCK1PRNPRXFP1ALDH1A1TDP1
SCHEMBL6251935 0.77 ROCK1 (0.39) ROCK1GPR3L3MBTL1PRNPRXFP1
SCHEMBL16996824 0.77 GRM6 (0.52) GRM6ALDH1A1ALOX5LIMK1GRM5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180214414-A1 COMPOSITIONS AND METHODS FOR TREATING ESTROGEN-RELATED MEDICAL DISORDERS UNIV ILLINOIS (US) 2018-08-02 — — US disclosed
US-9895348-B2 Compositions and methods for treating estrogen-related medical disorders THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2018-02-20 — — US disclosed
US-20170100371-A1 COMPOSITIONS AND METHODS FOR TREATING ESTROGEN-RELATED MEDICAL DISORDERS UNIV ILLINOIS (US) 2017-04-13 — — US disclosed
US-9475791-B2 Compositions and methods for treating estrogen-related medical disorders THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2016-10-25 — — US disclosed
US-20150291552-A1 COMPOSITIONS AND METHODS FOR TREATING ESTROGEN-RELATED MEDICAL DISORDERS THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS 2015-10-15 — — US disclosed
US-20100025661-A1 Luminescent material and organic electroluminescent device using the same JNC CORPORATION (JP) 2010-02-04 — — US disclosed
US-20100025661-A1 Luminescent material and organic electroluminescent device using the same JNC CORPORATION (JP) 2010-02-04 — — US disclosed
EP-2134683-A2 NOVEL INHIBITORS HEPATITIS C VIRUS REPLICATION Intermune, Inc. (US) 2009-12-23 — — EP disclosed
US-20090047246-A1 NOVEL INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2009-02-19 — — US disclosed
US-20090047246-A1 NOVEL INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2009-02-19 — — US disclosed
US-20090047246-A1 NOVEL INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2009-02-19 — — US disclosed
WO-2008100867-A2 NOVEL INHIBITORS HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2008-08-21 — — WO disclosed
WO-2008100867-A2 NOVEL INHIBITORS HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2008-08-21 — — 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 (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-20090047246-A1 NOVEL INHIBITORS OF HEPATITIS C VIRUS REPLICATION EIF2AK2, HAVCR2, HCCS ROCK1 875/4885GPR3 2917/4885L3MBTL1 2670/4885
US-20170100371-A1 COMPOSITIONS AND METHODS FOR TREATING ESTROGEN-RELATED MEDICAL DISORDERS HSD17B11, SHBG, ESRRB ROCK1 2975/4885GPR3 1720/4885L3MBTL1 4834/4885
US-20180214414-A1 COMPOSITIONS AND METHODS FOR TREATING ESTROGEN-RELATED MEDICAL DISORDERS HSD17B11, SHBG, ESRRB ROCK1 2975/4885GPR3 1720/4885L3MBTL1 4834/4885
US-20100025661-A1 Luminescent material and organic electroluminescent device using the same TRPV3, TRPC3, HVCN1 ROCK1 2829/4885GPR3 376/4885L3MBTL1 307/4885
US-20150291552-A1 COMPOSITIONS AND METHODS FOR TREATING ESTROGEN-RELATED MEDICAL DISORDERS HSD17B11, SHBG, ESRRB ROCK1 2975/4885GPR3 1720/4885L3MBTL1 4834/4885

“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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