SCHEMBL658125

SCHEMBL658125

COc1c(C)cc(C)cc1O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 2/20 0.53
TDP1 Q9NUW8 2/20 0.52
MAPT P10636 4/20 0.48
ALDH1A1 P00352 4/20 0.48
KDM4E B2RXH2 3/20 0.48
GAA P10253 2/20 0.48
POLB P06746 1/20 0.48
APEX1 P27695 1/20 0.48
MPI P34949 1/20 0.48
RECQL P46063 1/20 0.48
KMT2A Q03164 1/20 0.48
ACHE P22303 2/20 0.46
SELL P14151 1/20 0.46
SELP P16109 1/20 0.46
SELE P16581 1/20 0.46
PIM1 P11309 1/20 0.42
TP53 P04637 1/20 0.41
CYP3A4 P08684 2/20 0.39
TPMT P51580 4/20 0.38
LMNA P02545 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
SCHEMBL31090180 1.00 PTPN1 (0.53) PTPN1TDP1MAPTALDH1A1KDM4E
SCHEMBL68928 0.87 TDP1 (0.67) PTPN1TDP1MAPTALDH1A1KDM4E
SCHEMBL129762 0.82 ACHE (0.57) PTPN1TDP1MAPTALDH1A1KMT2A
SCHEMBL8084791 0.81 TDP1 (0.52) PTPN1TDP1MAPTALDH1A1KDM4E
SCHEMBL1427958 0.79 ACHE (0.70) PTPN1TDP1MAPTALDH1A1KDM4E
SCHEMBL10106591 0.79 PTPN1 (0.62) PTPN1TDP1MAPTALDH1A1KDM4E
SCHEMBL29421877 0.79 PTPN1 (0.62) PTPN1TDP1MAPTALDH1A1KDM4E
SCHEMBL29421895 0.79 ACHE (0.70) PTPN1TDP1MAPTALDH1A1KDM4E
SCHEMBL18838191 0.78 PIM1 (0.45) PTPN1TDP1MAPTALDH1A1KDM4E
SCHEMBL4490735 0.78 TDP1 (0.54) PTPN1TDP1MAPTALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2019136112-A1 INHIBITORS OF INDOLEAMINE 2,3-DIOXYGENASE AND METHODS OF THEIR USE BRISTOL-MYERS SQUIBB COMPANY (US) 2019-07-11 WO disclosed
US-10308579-B2 Method of bisphenol manufacture SABIC GLOBAL TECHNOLOGIES B.V. (NL) 2019-06-04 US disclosed
EP-3386938-A1 METHOD OF BISPHENOL MANUFACTURE SABIC Global Technologies B.V. (NL) 2018-10-17 EP disclosed
US-20180265441-A1 METHOD OF BISPHENOL MANUFACTURE SHPP GLOBAL TECHNOLOGIES B.V. (NL) 2018-09-20 US disclosed
EP-3202765-A1 POLYCYCLIC ANAPLASTIC LYMPHOMA KINASE INHIBITOR Xuanzhu Pharma Co., Ltd. (CN) 2017-08-09 EP disclosed
WO-2017100164-A1 METHOD OF BISPHENOL MANUFACTURE SABIC GLOBAL TECHNOLOGIES B.V. (NL) 2017-06-15 WO disclosed
US-8957069-B2 Benzofuran derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-02-17 US disclosed
EP-2781513-A1 Benzofuran derivatives Takeda Pharmaceutical Company Limited (JP) 2014-09-24 EP disclosed
EP-2406243-B1 BENZOFURAN DERIVATIVES TAKEDA PHARMACEUTICAL (JP) 2014-05-07 EP disclosed
US-8288390-B2 Benzofuran derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-10-16 US disclosed
US-20120046277-A1 BENZOFURAN DERIVATIVES TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-02-23 US disclosed
EP-2406243-A1 BENZOFURAN DERIVATIVES Takeda Pharmaceutical Company Limited (JP) 2012-01-18 EP disclosed
US-20100234357-A1 Benzofuran derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-09-16 US disclosed
WO-2010104194-A1 BENZOFURAN DERIVATIVES TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-09-16 WO disclosed
US-4656310-A ANTITUMOR AGENTS HOFFMANN-LA ROCHE INC. (US) 1987-04-07 US disclosed
US-4532355-A Substituted triaryl phosphonium derivatives HOFFMANN-LA ROCHE INC. (US) 1985-07-30 US disclosed
US-4319048-A ANTITUMOR AGENTS HOFFMANN-LA ROCHE INC. (US) 1982-03-09 US disclosed
US-4224244-A ANTITUMOR AGENTS HOFFMANN-LA ROCHE INC. (US) 1980-09-23 US disclosed
US-4215215-A 9-Phenyl-nonate traene compounds HOFFMANN-LA ROCHE INC. (US) 1980-07-29 US disclosed
US-4105681-A ANTITUMOR AGENTS HOFFMANN-LA ROCHE INC. (US) 1978-08-08 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-20180265441-A1 METHOD OF BISPHENOL MANUFACTURE PBRM1, ELL, HPD PTPN1 4242/4885TDP1 4381/4885MAPT 1485/4885
US-10308579-B2 Method of bisphenol manufacture PBRM1, ELL, HPD PTPN1 4242/4885TDP1 4381/4885MAPT 1485/4885
US-20100234357-A1 Benzofuran derivatives AHR, BRPF3, CBR3 PTPN1 3602/4885TDP1 4771/4885MAPT 3969/4885
US-20120046277-A1 BENZOFURAN DERIVATIVES BRPF3, BRD1, CBR3 PTPN1 4030/4885TDP1 4781/4885MAPT 4353/4885

“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.