SCHEMBL786846

SCHEMBL786846

O=C(c1cc(O)c(O)c(O)c1)c1c[nH]c(-c2ccccc2)n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B14 Q9BPX1 6/20 0.44
PLTP P55058 1/20 0.40
FASN P49327 1/20 0.40
NSD2 O96028 1/20 0.39
RNASEH1 O60930 1/20 0.38
ERCC1 P07992 1/20 0.38
FEN1 P39748 1/20 0.38
ERCC4 Q92889 1/20 0.38
PTGS2 P35354 1/20 0.38
MAPT P10636 3/20 0.38
HPGD P15428 3/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
KDM4E B2RXH2 2/20 0.38
LMNA P02545 2/20 0.38
ALPL P05186 1/20 0.38
POLB P06746 1/20 0.38
HSP90AA1 P07900 1/20 0.38
HSP90AB1 P08238 1/20 0.38
ALPI P09923 1/20 0.38
GAA P10253 1/20 0.38

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
SCHEMBL725203 0.88 HDAC1 (0.38) HSD17B14FASNNSD2MAPTHPGD
SCHEMBL724202 0.86 HSD17B14 (0.42) HSD17B14HDAC1CNR1CNR2
SCHEMBL786633 0.85 ALDH1A1 (0.46) MAPTHPGDSMN1; SMN2KDM4EGAA
SCHEMBL18040295 0.84 HSD17B14 (0.47) HSD17B14FASNMAPTHDAC1SNCA
SCHEMBL724565 0.80 MAPT (0.44) MAPTHPGDSMN1; SMN2KDM4ELMNA
SCHEMBL786641 0.79 KMT2A (0.53) MAPTHPGDSMN1; SMN2LMNAGAA
SCHEMBL12246853 0.79 PDE10A (0.44) MAPTHPGDSMN1; SMN2KDM4ELMNA
SCHEMBL722287 0.79 IGFBP3 (0.44) HSD17B14HPGDSMN1; SMN2KDM4EHDAC1
SCHEMBL724208 0.78 ALDH1A1 (0.48) MAPTHPGDSMN1; SMN2KDM4ELMNA
SCHEMBL724793 0.78 HTT (0.41) HSD17B14MAPTHPGDSMN1; SMN2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220024912-A1 COMPOUNDS FOR TREATMENT OF CANCER Oncternal Therapeutics, Inc. (US) 2022-01-27 US disclosed
US-11084811-B2 Compounds for treatment of cancer Oncternal Therapeutics, Inc. (US) 2021-08-10 US disclosed
US-10022356-B2 Compounds for treatment of cancer UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION (US) 2018-07-17 US disclosed
US-10022356-B2 Compounds for treatment of cancer UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION (US) 2018-07-17 US disclosed
US-20170226086-A1 COMPOUNDS FOR TREATMENT OF CANCER GTx. Inc. (US) 2017-08-10 US disclosed
US-20170226086-A1 COMPOUNDS FOR TREATMENT OF CANCER GTx. Inc. (US) 2017-08-10 US disclosed
US-9447049-B2 Compounds for treatment of cancer UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION (US) 2016-09-20 US disclosed
EP-3064204-A1 COMPOUNDS FOR TREATMENT OF CANCER GTx, Inc. (US) 2016-09-07 EP disclosed
US-9334242-B2 Compounds for treatment of cancer GTX, INC. (US) 2016-05-10 US disclosed
US-20160015688-A1 COMPOUNDS FOR TREATMENT OF CANCER UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION (US) 2016-01-21 US disclosed
WO-2014138279-A1 COMPOUNDS FOR TREATMENT OF CANCER UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION (US) 2014-09-12 WO disclosed
US-8822513-B2 Compounds for treatment of cancer GTX, INC. (US) 2014-09-02 US disclosed
WO-2012027481-A9 COMPOUNDS FOR TREATMENT OF CANCER GTX, INC. (US) 2013-10-10 WO disclosed
US-20130197049-A1 COMPOUNDS FOR TREATMENT OF CANCER UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION (US) 2013-08-01 US disclosed
US-20120071524-A1 COMPOUNDS FOR TREATMENT OF CANCER ONCTERNAL THERAPEUTICS, INC 2012-03-22 US disclosed
US-20110257196-A1 COMPOUNDS FOR TREATMENT OF CANCER ONCTERNAL THERAPEUTICS, INC 2011-10-20 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 (8 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-20120071524-A1 COMPOUNDS FOR TREATMENT OF CANCER KLK3, BRDT, ACP3 HSD17B14 387/4885PLTP 4153/4885FASN 1892/4885
US-20160015688-A1 COMPOUNDS FOR TREATMENT OF CANCER BRAF, NRAS, RAF1 HSD17B14 4016/4885PLTP 3662/4885FASN 3669/4885
US-10022356-B2 Compounds for treatment of cancer BRAF, NRAS, RAF1 HSD17B14 4016/4885PLTP 3662/4885FASN 3669/4885
US-20130197049-A1 COMPOUNDS FOR TREATMENT OF CANCER KLK3, BRDT, ACP3 HSD17B14 387/4885PLTP 4153/4885FASN 1892/4885
US-11084811-B2 Compounds for treatment of cancer KLK3, BRDT, ACP3 HSD17B14 387/4885PLTP 4153/4885FASN 1892/4885
US-20220024912-A1 COMPOUNDS FOR TREATMENT OF CANCER KLK3, BRDT, ACP3 HSD17B14 387/4885PLTP 4153/4885FASN 1892/4885
US-20170226086-A1 COMPOUNDS FOR TREATMENT OF CANCER KLK3, BRDT, ACP3 HSD17B14 387/4885PLTP 4153/4885FASN 1892/4885
US-20110257196-A1 COMPOUNDS FOR TREATMENT OF CANCER KLK3, BRDT, ACP3 HSD17B14 387/4885PLTP 4153/4885FASN 1892/4885

“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.