SCHEMBL314855

SCHEMBL314855

CCOc1[c]cccc1OC

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.39
CA2 P00918 3/20 0.39
CA7 P43166 2/20 0.39
CA9 Q16790 2/20 0.39
CA12 O43570 1/20 0.39
CA4 P22748 1/20 0.39
CA14 Q9ULX7 1/20 0.39
SMN1; SMN2 Q16637 4/20 0.38
ALDH1A1 P00352 2/20 0.38
MAPT P10636 3/20 0.37
GAA P10253 2/20 0.37
KDM4E B2RXH2 1/20 0.37
MAPK1 P28482 2/20 0.37
TSHR P16473 3/20 0.35
TP53 P04637 2/20 0.35
SYK P43405 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.34
POLB P06746 1/20 0.34

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
SCHEMBL285182 0.88 ALDH1A1 (0.45) ALDH1A1MAPTGAAKDM4EL3MBTL1
SCHEMBL8408767 0.86 CA12 (0.34) CA1CA2CA7CA9CA12
SCHEMBL2461793 0.85 ALDH1A1 (0.42) CA1CA2CA7CA9CA12
SCHEMBL1509391 0.84 HTR7 (0.44) CA1CA2CA7CA9CA12
SCHEMBL11375442 0.84 CYP1A2 (0.43) CA1CA2CA7CA9CA12
SCHEMBL9327083 0.83 CA1 (0.38) CA1CA2CA7CA9CA12
SCHEMBL17046287 0.82 L3MBTL1 (0.41) ALDH1A1MAPTKDM4EMAPK1L3MBTL1
SCHEMBL16959069 0.81 L3MBTL1 (0.40) ALDH1A1MAPTGAAKDM4ETP53
SCHEMBL2068329 0.81 SMN1; SMN2 (0.40) CA1CA2CA7CA9CA12
SCHEMBL123985 0.81 CA1 (0.48) CA1CA2CA7CA9CA12

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 34 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105218428-A A kind of preparation method of Apremilast of high chiral purity NANJING MEIJIANINGYI PHARMACEUTICAL RES AND DEV CO LTD 2016-01-06 CN claimed
US-8486931-B2 Substituted oxindole compounds ABBOTT GMBH & CO. KG (DE) 2013-07-16 US claimed
EP-2373169-A1 IMIDAZOPYRAZINE SYK INHIBITORS Gilead Connecticut, Inc. (US) 2011-10-12 EP claimed
US-20100286165-A1 SUBSTITUTED OXINDOLE COMPOUNDS ABBOTT GMBH & CO. KG (DE) 2010-11-11 US claimed
WO-2010068257-A1 IMIDAZOPYRAZINE SYK INHIBITORS CGI PHARMACEUTICALS, INC. (US) 2010-06-17 WO claimed
WO-2008107399-A1 SUBSTITUTED OXINDOLE COMPOUNDS ABBOTT GMBH & CO. KG (DE) 2008-09-12 WO claimed
EP-2900645-B1 HERBICIDAL AND FUNGICIDAL 3-PHENYLISOXAZOLIN DERIVATIVES BAYER CROPSCIENCE AG (DE) 2019-08-21 EP disclosed
US-9585392-B2 3-phenylisoxazolin derivatives with herbicidal action BAYER CROPSCIENCE AG (DE) 2017-03-07 US disclosed
CN-105218428-A A kind of preparation method of Apremilast of high chiral purity NANJING MEIJIANINGYI PHARMACEUTICAL RES AND DEV CO LTD 2016-01-06 CN disclosed
CN-105218428-A A kind of preparation method of Apremilast of high chiral purity NANJING MEIJIANINGYI PHARMACEUTICAL RES AND DEV CO LTD 2016-01-06 CN disclosed
CN-105085429-A Heteroaromatic derivative and application thereof to medicament GUANGDONG HEC PHARMACEUTICAL 2015-11-25 CN disclosed
CN-103690542-B Poly-(ADP-ribose) AG14361 ABBVIE INC. (US) 2015-11-18 CN disclosed
US-20150245615-A1 3-PHENYLISOXAZOLIN DERIVATIVES WITH HERBICIDAL ACTION BAYER CROPSCIENCE AG (DE) 2015-09-03 US disclosed
EP-1753512-B1 TETRAHYDROPYRIDOTHIOPHENES NYCOMED GMBH (DE) 2008-07-09 EP disclosed
US-20070244112-A1 Novel tetrahydropyridothiophenes ALTANA PHARMA AG (DE) 2007-10-18 US disclosed
EP-1753512-A2 TETRAHYDROPYRIDOTHIOPHENES Altana Pharma AG (DE) 2007-02-21 EP disclosed
WO-2005118071-A2 TETRAHYDROPYRIDOTHIOPHENES ALTANA PHARMA AG (DE) 2005-12-15 WO disclosed
US-20050154024-A1 Compounds useful in therapy PFIZER INC 2005-07-14 US disclosed
EP-1115700-A1 OPTICALLY ACTIVE SUBSTITUTED N-ARYL-O-ARYLOXYALKYL-CARBAMATES BAYER AG (DE) 2001-07-18 EP disclosed
WO-2000017157-A1 OPTICALLY ACTIVE SUBSTITUTED N-ARYL-O-ARYLOXYALKYL-CARBAMATES BAYER AKTIENGESELLSCHAFT (DE) 2000-03-30 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 (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-20070244112-A1 Novel tetrahydropyridothiophenes BAX, BCL2, BAD CA1 3377/4885CA2 4185/4885CA7 4021/4885
US-20050154024-A1 Compounds useful in therapy PTGER4, PTGER3, ALOX5 CA1 3885/4885CA2 4135/4885CA7 3721/4885
US-20100286165-A1 SUBSTITUTED OXINDOLE COMPOUNDS OXTR, AVPR2, AVPR1A CA1 2341/4885CA2 1913/4885CA7 2887/4885
US-20150245615-A1 3-PHENYLISOXAZOLIN DERIVATIVES WITH HERBICIDAL ACTION CYP4X1, CBR3, PAOX CA1 571/4885CA2 86/4885CA7 167/4885

“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.