SCHEMBL10174351

SCHEMBL10174351

COC(=O)Cc1ccc(C)o1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.46
HSP90AB1 P08238 1/20 0.44
CHRM2 P08172 2/20 0.42
MEN1 O00255 1/20 0.42
CHRM4 P08173 1/20 0.42
CHRM5 P08912 1/20 0.42
CHRM1 P11229 1/20 0.42
CYP2C9 P11712 1/20 0.42
CHRM3 P20309 1/20 0.42
KMT2A Q03164 1/20 0.42
ALDH1A1 P00352 6/20 0.42
KDM4E B2RXH2 5/20 0.42
HPGD P15428 3/20 0.42
GLA P06280 2/20 0.42
PKM P14618 4/20 0.42
TSHR P16473 3/20 0.42
POLB P06746 2/20 0.42
HTT P42858 1/20 0.42
CYP4F2 P78329 1/20 0.42
CYP4A11 Q02928 1/20 0.42

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
SCHEMBL17581887 0.88 HSP90AB1 (0.50) HSP90AB1MEN1KMT2AALDH1A1KDM4E
SCHEMBL8824487 0.81 ALDH1A1 (0.54) ALOX5MEN1KMT2AALDH1A1KDM4E
SCHEMBL17581889 0.81 HSP90AB1 (0.44) HSP90AB1MEN1KMT2AALDH1A1KDM4E
SCHEMBL23395635 0.79 NPC1 (0.55) HSP90AB1MEN1KMT2AALDH1A1KDM4E
SCHEMBL28980172 0.79 ALDH1A1 (0.47) HSP90AB1MEN1KMT2AALDH1A1KDM4E
SCHEMBL28151481 0.79 HSP90AB1 (0.43) HSP90AB1MEN1KMT2AALDH1A1KDM4E
SCHEMBL11663656 0.79 ALOX5 (0.41) ALOX5CHRM2MEN1CHRM4CHRM5
SCHEMBL10209863 0.78 HTT (0.51) HSP90AB1MEN1CYP2C9KMT2AALDH1A1
SCHEMBL4741136 0.78 CYP4F2 (0.56) HSP90AB1MEN1KMT2AALDH1A1KDM4E
SCHEMBL2875402 0.78 TDP1 (0.56) HSP90AB1KMT2AALDH1A1KDM4EPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112898247-B Synthetic method of furan acetate compound 中国科学院兰州化学物理研究所 2023-03-14 CN disclosed
CN-112898247-A Synthetic method of furan acetate compound 中国科学院兰州化学物理研究所 2021-06-04 CN disclosed
EP-1728793-B1 9-SUBSTITUTED 8-OXOADENINE COMPOUND SUMITOMO DAINIPPON PHARMA CO LTD (JP) 2016-02-03 EP disclosed
US-8354439-B2 Agent for inhibition of cytokine production and agent for inhibition of cell adhesion OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-01-15 US disclosed
US-20120178743-A1 NOVEL ADENINE COMPOUND AND USE THEREOF DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2012-07-12 US disclosed
EP-1550662-B1 ADENINE COMPOUND AND USE THEREOF DAINIPPON SUMITOMO PHARMA CO (JP) 2012-07-04 EP disclosed
US-8148371-B2 Adenine compound and use thereof DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2012-04-03 US disclosed
US-8148371-B2 Adenine compound and use thereof DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2012-04-03 US disclosed
US-20100256118-A1 NOVEL ADENINE COMPOUND AND USE THEREOF DAINIPPON SUMITOMO PHARMA CO.,LTD. (JP) 2010-10-07 US disclosed
US-20100256118-A1 NOVEL ADENINE COMPOUND AND USE THEREOF DAINIPPON SUMITOMO PHARMA CO.,LTD. (JP) 2010-10-07 US disclosed
US-7754728-B2 Adenine compound and use thereof DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2010-07-13 US disclosed
US-7754728-B2 Adenine compound and use thereof DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2010-07-13 US disclosed
US-20070238758-A1 Agent for inhibition of cytokine production and agent for inhibition of cell adhesion OTSUKA PHARMACEUTICAL CO., LTD. 2007-10-11 US disclosed
US-20070105911-A1 Agent for inhibition of cytokine production and agent for inhibition of cell adhesion CHIHIRO MASATOSHI 2007-05-10 US disclosed
US-4107178-A Thioprene or furan derivatives and process for preparation thereof SAGAMI CHEMICAL RESEARCH CENTER (JP) 1978-08-15 US disclosed
US-4086420-A Thioprene or furan derivatives and process for preparation thereof SAGAMI CHEMICAL RESEARCH CENTER (JA) 1978-04-25 US disclosed
US-4051151-A Thiophene derivatives and process for preparation thereof SAGAMI CHEMICAL RESEARCH CENTER (JA) 1977-09-27 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 (4 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-20070238758-A1 Agent for inhibition of cytokine production and agent for inhibition of cell adhesion IL2, IL1RN, SELL ALOX5 396/4885HSP90AB1 1267/4885CHRM2 2702/4885
US-20100256118-A1 NOVEL ADENINE COMPOUND AND USE THEREOF ADORA1, P2RY10, HRH4 ALOX5 985/4885HSP90AB1 3615/4885CHRM2 49/4885
US-20070105911-A1 Agent for inhibition of cytokine production and agent for inhibition of cell adhesion IL2, IL1RN, SELL ALOX5 394/4885HSP90AB1 1229/4885CHRM2 2714/4885
US-20120178743-A1 NOVEL ADENINE COMPOUND AND USE THEREOF ADORA1, HRH4, P2RY10 ALOX5 958/4885HSP90AB1 3261/4885CHRM2 35/4885

“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.