SCHEMBL15077055

SCHEMBL15077055

CC(C)c1cc(F)cc2c1OCOC2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.42
KDM4E B2RXH2 2/20 0.42
CXCR5 P32302 1/20 0.39
GALR3 O60755 1/20 0.37
NR2F2 P24468 1/20 0.37
TDP1 Q9NUW8 2/20 0.36
MAPK8 P45983 1/20 0.36
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
APEX1 P27695 1/20 0.34
POLB P06746 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
EPHA2 P29317 1/20 0.31
KDR P35968 1/20 0.31
EPHB4 P54760 1/20 0.31
F11 P03951 1/20 0.31
TSHR P16473 1/20 0.30
SMPD1 P17405 1/20 0.30
GAA P10253 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL12412399 0.80 TSHR (0.40) ALDH1A1KDM4ENPC1RAB9ANPSR1
SCHEMBL5018871 0.78 GALR3 (0.42) ALDH1A1KDM4ECXCR5GALR3NR2F2
SCHEMBL4803010 0.77 ALDH1A1 (0.45) ALDH1A1KDM4ECXCR5GALR3NR2F2
SCHEMBL15372279 0.75 KDM4E (0.56) ALDH1A1KDM4ECXCR5GALR3NR2F2
SCHEMBL25799281 0.75 PARP1 (0.37)
SCHEMBL5024437 0.75 GALR3 (0.47) ALDH1A1KDM4ECXCR5GALR3NR2F2
SCHEMBL3873651 0.74 ALDH1A1 (0.45) ALDH1A1KDM4ECXCR5GALR3NR2F2
SCHEMBL1515558 0.74 ALDH1A1 (0.45) ALDH1A1KDM4ECXCR5GALR3NR2F2
SCHEMBL16807804 0.73 PARP1 (0.41)
SCHEMBL12844622 0.73 GALR3 (0.44) ALDH1A1KDM4ECXCR5GALR3NR2F2

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-11236082-B2 EZH2 inhibitors and uses thereof DANA-FARBER CANCER INSTITUTE, INC. (US) 2022-02-01 US disclosed
US-20190192532-A1 COMBINATION THERAPY OF BROMODOMAIN INHIBITORS AND CHECKPOINT BLOCKADE PETER MACCALLUM CANCER INSTITUTE (AU) 2019-06-27 US disclosed
US-10308653-B2 Diazepane derivatives and uses thereof DANA-FARBER CANCER INSTITUTE, INC. (US) 2019-06-04 US disclosed
US-10202353-B2 Therapeutic compounds GILEAD SCIENCES, INC. (US) 2019-02-12 US disclosed
US-20190000860-A1 USE OF COMPOSITIONS MODULATING CHROMATIN STRUCTURE FOR GRAFT VERSUS HOST DISEASE (GVHD) DANA-FARBER CANCER INSTITUTE, INC. (US) 2019-01-03 US disclosed
US-20180169097-A1 COMBINATION THERAPY OF TRANSCRIPTION INHIBITORS AND KINASE INHIBITORS DANA-FARBER CANCER INSTITUTE, INC. (US) 2018-06-21 US disclosed
US-9951074-B2 Dihydropteridinone derivatives and uses thereof DANA-FARBER CANCER INSTITUTE, INC. (US) 2018-04-24 US disclosed
US-9951074-B2 Dihydropteridinone derivatives and uses thereof DANA-FARBER CANCER INSTITUTE, INC. (US) 2018-04-24 US disclosed
US-20170145023-A1 DIAZEPANE DERIVATIVES AND USES THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2017-05-25 US disclosed
US-20170145023-A1 DIAZEPANE DERIVATIVES AND USES THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2017-05-25 US disclosed
US-20170145013-A1 DIHYDROPTERIDINONE DERIVATIVES AND USES THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2017-05-25 US disclosed
US-20170145013-A1 DIHYDROPTERIDINONE DERIVATIVES AND USES THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2017-05-25 US disclosed
US-20160368881-A1 THERAPEUTIC COMPOUNDS GILEAD SCIENCES, INC. 2016-12-22 US disclosed
US-20160235748-A1 PYRAZOLO[1,5-A]PYRIMIDINES AS ANTIVIRAL AGENTS GILEAD SCIENCES, INC. 2016-08-18 US disclosed
US-9278975-B2 Pyrazolo[1,5-A]pyrimidines as antiviral agents GILEAD SCIENCES, INC. (US) 2016-03-08 US disclosed
US-20150166546-A1 PYRAZOLO[1,5-A]PYRIMIDINES AS ANTIVIRAL AGENTS GILEAD SCIENCES, INC. 2015-06-18 US disclosed
US-8946238-B2 Pyrazolo[1,5-A]pyrimidines as antiviral agents GILEAD SCIENCES, INC. (US) 2015-02-03 US disclosed
US-20130164280-A1 PYRAZOLO[1,5-A]PYRIMIDINES AS ANTIVIRAL AGENTS GILEAD SCIENCES, INC. (US) 2013-06-27 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 (12 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-20190000860-A1 USE OF COMPOSITIONS MODULATING CHROMATIN STRUCTURE FOR GRAFT VERSUS HOST DISEASE (GVHD) BCL6, BCL6B, EZH2 ALDH1A1 4211/4885KDM4E 44/4885CXCR5 484/4885
US-10308653-B2 Diazepane derivatives and uses thereof BRDT, BRD4, BAZ2A ALDH1A1 3052/4885KDM4E 1098/4885CXCR5 2640/4885
US-20180169097-A1 COMBINATION THERAPY OF TRANSCRIPTION INHIBITORS AND KINASE INHIBITORS CHUK, BCOR, MYC ALDH1A1 3413/4885KDM4E 904/4885CXCR5 3968/4885
US-20160368881-A1 THERAPEUTIC COMPOUNDS HAVCR2, SARS1, RPL35 ALDH1A1 429/4885KDM4E 4459/4885CXCR5 898/4885
US-20130164280-A1 PYRAZOLO[1,5-A]PYRIMIDINES AS ANTIVIRAL AGENTS TYMP, ZC3HAV1, TYMS ALDH1A1 1436/4885KDM4E 2068/4885CXCR5 211/4885
US-10202353-B2 Therapeutic compounds RPL35, SARS1, HAVCR2 ALDH1A1 424/4885KDM4E 4403/4885CXCR5 882/4885
US-20190192532-A1 COMBINATION THERAPY OF BROMODOMAIN INHIBITORS AND CHECKPOINT BLOCKADE BRD4, BRD3, BRPF3 ALDH1A1 3317/4885KDM4E 100/4885CXCR5 1713/4885
US-20150166546-A1 PYRAZOLO[1,5-A]PYRIMIDINES AS ANTIVIRAL AGENTS TYMP, ZC3HAV1, TYMS ALDH1A1 1436/4885KDM4E 2068/4885CXCR5 211/4885
US-20170145013-A1 DIHYDROPTERIDINONE DERIVATIVES AND USES THEREOF BRDT, BRD4, BRD3 ALDH1A1 2824/4885KDM4E 1647/4885CXCR5 2572/4885
US-20160235748-A1 PYRAZOLO[1,5-A]PYRIMIDINES AS ANTIVIRAL AGENTS TYMP, ZC3HAV1, TYMS ALDH1A1 1436/4885KDM4E 2068/4885CXCR5 211/4885
US-11236082-B2 EZH2 inhibitors and uses thereof EZH2, EZH1, BMI1 ALDH1A1 1655/4885KDM4E 47/4885CXCR5 3688/4885
US-20170145023-A1 DIAZEPANE DERIVATIVES AND USES THEREOF BRDT, BRD4, BAZ2A ALDH1A1 3052/4885KDM4E 1098/4885CXCR5 2640/4885

“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.