SCHEMBL8886989

SCHEMBL8886989

COc1cc(C(=O)OCc2ccccc2)ccc1O

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B2 P37059 1/20 0.67
KDM4E B2RXH2 1/20 0.63
POLB P06746 1/20 0.63
HDAC6 Q9UBN7 1/20 0.63
LMNA P02545 2/20 0.60
CA12 O43570 1/20 0.60
CA4 P22748 1/20 0.60
CA6 P23280 1/20 0.60
CA5A P35218 1/20 0.60
CA7 P43166 1/20 0.60
CA9 Q16790 1/20 0.60
CA14 Q9ULX7 1/20 0.60
CA5B Q9Y2D0 1/20 0.60
HTT P42858 1/20 0.58
KMT2A Q03164 3/20 0.57
SLC6A2 P23975 1/20 0.57
SLC6A3 Q01959 1/20 0.57
TDP1 Q9NUW8 1/20 0.57
RAB9A P51151 2/20 0.55
MEN1 O00255 2/20 0.55

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
SCHEMBL1354883 0.91 HSD17B2 (0.67) HSD17B2KDM4EPOLBHDAC6LMNA
SCHEMBL1356478 0.90 HSD17B2 (0.72) HSD17B2KDM4EPOLBHDAC6CA12
SCHEMBL7720496 0.89 LMNA (0.60) HSD17B2POLBHDAC6LMNACA12
SCHEMBL4955356 0.88 HSD17B2 (0.70) HSD17B2KDM4EPOLBHDAC6HTT
SCHEMBL17769825 0.88 MAPT (0.61) HDAC6LMNACA12CA4CA6
SCHEMBL1355645 0.87 HSD17B2 (0.68) HSD17B2KDM4EPOLBHDAC6HTT
SCHEMBL22015271 0.87 LMNA (0.62) HSD17B2HDAC6LMNAKMT2ASLC6A2
SCHEMBL8887371 0.86 LMNA (0.57) HSD17B2KDM4EPOLBLMNACA12
SCHEMBL8888274 0.86 KDM4E (0.68) HSD17B2KDM4EPOLBHDAC6HTT
SCHEMBL22283475 0.86 TDP1 (0.57) HSD17B2KDM4EPOLBHDAC6LMNA

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
US-5686406-A Vanillic acid ester perfuming agents RHONE-POULENC CHIMIE (FR) 1997-11-11 US claimed
US-20240368132-A1 ROCK2 INHIBITORS AND USES THEREOF PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2024-11-07 US disclosed
EP-4377306-A1 ROCK2 INHIBITORS AND USES THEREOF President and Fellows of Harvard College (US) 2024-06-05 EP disclosed
CN-118055926-A ROCK2 inhibitors and uses thereof 哈佛大学的校长及成员们 2024-05-17 CN disclosed
US-11938233-B2 1,7-diaryl-1,6-heptadiene-3,5-dione derivatives, methods for the production and use thereof UNIVERSITÄTSKLINIKUM REGENSBURG (DE) 2024-03-26 US disclosed
WO-2023009475-A1 ROCK2 INHIBITORS AND USES THEREOF PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2023-02-02 WO disclosed
US-20220054671-A1 1,7-DIARYL-1,6-HEPTADIENE-3,5-DIONE DERIVATIVES, METHODS FOR THE PRODUCTION AND USE THEREOF UNIVERSITÄTSKLINIKUM REGENSBURG (DE) 2022-02-24 US disclosed
US-20220009892-A1 SUBSTITUTED PYRIDINE CARBOXYLIC ACIDS, THEIR PREPARATION METHOD AND COMPOSITIONS THEREOF INCILIA THERAPEUTICS PRIVATE LIMITED (IN) 2022-01-13 US disclosed
US-11191855-B2 1,7-diaryl-1,6-heptadiene-3,5-dione derivatives, methods for the production and use thereof UNIVERSITÄTSKLINIKUM REGENSBURG (DE) 2021-12-07 US disclosed
US-11021444-B2 Antiviral compounds Janssen Biopharma, Inc. (US) 2021-06-01 US disclosed
WO-2020100169-A1 SUBSTITUTED PYRIDINE CARBOXYLIC ACIDS, THEIR PREPARATION METHOD AND COMPOSITIONS THEREOF INCILIA THERAPEUTICS PRIVATE LIMITED (IN) 2020-05-22 WO disclosed
US-20190263754-A1 ANTIVIRAL COMPOUNDS ALIOS BIOPHARMA, INC. (US) 2019-08-29 US disclosed
US-20180272013-A1 1,7-DIARYL-1,6-HEPTADIENE-3,5-DIONE DERIVATIVES, METHODS FOR THE PRODUCTION AND USE THEREOF UNIVERSITÄT SALZBURG (AT) 2018-09-27 US disclosed
US-20180065932-A1 ANTIVIRAL COMPOUNDS ALIOS BIOPHARMA, INC. 2018-03-08 US disclosed
US-20180065932-A1 ANTIVIRAL COMPOUNDS ALIOS BIOPHARMA, INC. 2018-03-08 US disclosed
US-20150065504-A1 ANTIVIRAL COMPOUNDS ALIOS BIOPHARMA, INC. 2015-03-05 US disclosed
US-20150065504-A1 ANTIVIRAL COMPOUNDS ALIOS BIOPHARMA, INC. 2015-03-05 US disclosed
US-5686406-A Vanillic acid ester perfuming agents RHONE-POULENC CHIMIE (FR) 1997-11-11 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 (10 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-20220054671-A1 1,7-DIARYL-1,6-HEPTADIENE-3,5-DIONE DERIVATIVES, METHODS FOR THE PRODUCTION AND USE THEREOF DHPS, SQLE, CYP51A1 HSD17B2 18/4885KDM4E 3887/4885POLB 1799/4885
US-20240368132-A1 ROCK2 INHIBITORS AND USES THEREOF ROCK2, ROCK1, RHOA HSD17B2 1275/4885KDM4E 2192/4885POLB 4124/4885
US-20190263754-A1 ANTIVIRAL COMPOUNDS MAVS, SARS1, ZC3HAV1 HSD17B2 4380/4885KDM4E 3737/4885POLB 429/4885
US-20180272013-A1 1,7-DIARYL-1,6-HEPTADIENE-3,5-DIONE DERIVATIVES, METHODS FOR THE PRODUCTION AND USE THEREOF DHPS, SQLE, CYP51A1 HSD17B2 18/4885KDM4E 3887/4885POLB 1799/4885
US-11021444-B2 Antiviral compounds MAVS, SARS1, ZC3HAV1 HSD17B2 4380/4885KDM4E 3737/4885POLB 429/4885
US-20180065932-A1 ANTIVIRAL COMPOUNDS MAVS, SARS1, ZC3HAV1 HSD17B2 4380/4885KDM4E 3737/4885POLB 429/4885
US-20150065504-A1 ANTIVIRAL COMPOUNDS MAVS, SARS1, ZC3HAV1 HSD17B2 4380/4885KDM4E 3737/4885POLB 429/4885
US-20220009892-A1 SUBSTITUTED PYRIDINE CARBOXYLIC ACIDS, THEIR PREPARATION METHOD AND COMPOSITIONS THEREOF PC, PCCA, GLS2 HSD17B2 878/4885KDM4E 858/4885POLB 3397/4885
US-11191855-B2 1,7-diaryl-1,6-heptadiene-3,5-dione derivatives, methods for the production and use thereof DHPS, SQLE, CYP51A1 HSD17B2 18/4885KDM4E 3887/4885POLB 1799/4885
US-11938233-B2 1,7-diaryl-1,6-heptadiene-3,5-dione derivatives, methods for the production and use thereof DHPS, SQLE, CYP51A1 HSD17B2 18/4885KDM4E 3887/4885POLB 1799/4885

“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.