SCHEMBL6441850

SCHEMBL6441850

O=C(O)c1cc(Cc2ccccc2)c(C(=O)O)cc1Cc1ccccc1

nearest known ligand 0.66

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 5/20 0.62
PTPN2 P17706 1/20 0.62
PTPN6 P29350 1/20 0.62
TSHR P16473 1/20 0.56
HNF4A P41235 1/20 0.56
BCL2 P10415 2/20 0.54
BCL2L1 Q07817 1/20 0.54
HMGB1 P09429 1/20 0.52
CXCL12 P48061 1/20 0.52
ACMSD Q8TDX5 1/20 0.49
ALDH1A1 P00352 2/20 0.48
ALOX15 P16050 1/20 0.48

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
SCHEMBL6442120 0.94 PTPN1 (0.61) PTPN1PTPN2PTPN6TSHRHNF4A
SCHEMBL27415949 0.85 PTPN1 (0.53) PTPN1PTPN2PTPN6TSHRHNF4A
SCHEMBL8961442 0.84 PTPN1 (0.65) PTPN1PTPN2PTPN6TSHRHNF4A
SCHEMBL6772376 0.84 TSHR (0.69) PTPN1PTPN2PTPN6TSHRHNF4A
SCHEMBL4521739 0.83 TSHR (0.72) PTPN1PTPN2PTPN6TSHRHNF4A
SCHEMBL11555259 0.83 IDO1 (0.55) PTPN1PTPN2PTPN6TSHRHNF4A
SCHEMBL310681 0.83 PTPN1 (0.58) PTPN1PTPN2PTPN6TSHRHNF4A
SCHEMBL28707306 0.83 PTPN1 (0.73) PTPN1PTPN2PTPN6TSHRHNF4A
SCHEMBL23003 0.83 TSHR (0.79) PTPN1PTPN2PTPN6TSHRHNF4A
SCHEMBL11590733 0.82 PTPN1 (0.50) PTPN1PTPN2PTPN6TSHRHNF4A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050288522-A1 Process for preparing pentacene derivatives 3M INNOVATIVE PROPERTIES COMPANY 2005-12-29 US claimed
CN-1592729-A Process for preparing pentacene derivatives 3M INNOVATIVE PROPERTIES CO (US) 2005-03-09 CN claimed
US-20030100779-A1 Process for preparing pentacene derivatives 3M INNOVATIVE PROPERTIES COMPANY 2003-05-29 US claimed
US-20030097010-A1 Process for preparing pentacene derivatives 3M INNOVATIVE PROPERTIES COMPANY 2003-05-22 US claimed
US-20050288522-A1 Process for preparing pentacene derivatives 3M INNOVATIVE PROPERTIES COMPANY 2005-12-29 US disclosed
US-6974877-B2 Process for preparing pentacene derivatives 3M INNOVATIVE PROPERTIES COMPANY (US) 2005-12-13 US disclosed
CN-1592729-A Process for preparing pentacene derivatives 3M INNOVATIVE PROPERTIES CO (US) 2005-03-09 CN disclosed
EP-1430008-A2 PROCESS FOR PREPARING PENTACENE DERIVATIVES 3M Innovative Properties Company (US) 2004-06-23 EP disclosed
US-20030100779-A1 Process for preparing pentacene derivatives 3M INNOVATIVE PROPERTIES COMPANY 2003-05-29 US disclosed
US-20030097010-A1 Process for preparing pentacene derivatives 3M INNOVATIVE PROPERTIES COMPANY 2003-05-22 US disclosed
WO-2003027050-A2 PROCESS FOR PREPARING PENTACENE DERIVATIVES 3M INNOVATIVE PROPERTIES COMPANY (US) 2003-04-03 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 (3 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-20050288522-A1 Process for preparing pentacene derivatives RARA, RARB, C9 PTPN1 1890/4885PTPN2 2127/4885PTPN6 2123/4885
US-20030097010-A1 Process for preparing pentacene derivatives H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, PCBP1, RARA PTPN1 2512/4885PTPN2 2891/4885PTPN6 2603/4885
US-20030100779-A1 Process for preparing pentacene derivatives H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, PCBP1, RARA PTPN1 2512/4885PTPN2 2891/4885PTPN6 2603/4885

“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.