SCHEMBL3727201

SCHEMBL3727201

CCC(C)c1ccc2cc3cc4cc5cc(C(C)CC)ccc5cc4cc3cc2c1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.50
USP2 O75604 1/20 0.50
GAA P10253 1/20 0.50
PKM P14618 1/20 0.50
HPGD P15428 1/20 0.50
ALOX15 P16050 1/20 0.50
HSD17B10 Q99714 1/20 0.50
ABCB11 O95342 1/20 0.47
HDAC4 P56524 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
UGT2B7 P16662 1/20 0.42
TSHR P16473 1/20 0.42
AKR1C3 P42330 3/20 0.41
AKR1C2 P52895 3/20 0.41
SCN10A Q9Y5Y9 1/20 0.40
AKR1C1 Q04828 1/20 0.39

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
SCHEMBL3725681 1.00 ALDH1A1 (0.50) ALDH1A1USP2GAAPKMHPGD
SCHEMBL9167387 0.95 ALDH1A1 (0.53) ALDH1A1USP2GAAPKMHPGD
SCHEMBL2491242 0.94 UGT2B7 (0.52) ALDH1A1USP2GAAPKMHPGD
SCHEMBL18350082 0.89 HSD17B10 (0.51) ALDH1A1USP2GAAPKMHPGD
SCHEMBL2740765 0.89 HSD17B10 (0.51) ALDH1A1USP2GAAPKMHPGD
SCHEMBL20100785 0.88 ALDH1A1 (0.58) ALDH1A1USP2GAAPKMHPGD
SCHEMBL5401290 0.87 UGT2B7 (0.59) ALDH1A1USP2GAAPKMHPGD
SCHEMBL16684715 0.87 UGT2B7 (0.59) ALDH1A1USP2GAAPKMHPGD
SCHEMBL14341544 0.85 ALDH1A1 (0.50) ALDH1A1USP2GAAPKMHPGD
SCHEMBL13706059 0.85 UGT2B7 (0.62) ALDH1A1USP2GAAPKMHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070141747-A1 Electronic device fabrication process XEROX CORPORATION 2007-06-21 US claimed
EP-1433211-B1 SUBSTITUTED PENTACENE SEMICONDUCTORS 3M INNOVATIVE PROPERTIES CO (US) 2006-06-21 EP claimed
US-6864396-B2 Comprise at least one substituent selected from electron-donating substituents, halogen substituents, and combinations thereof; organic thin-film transistors 3M INNOVATIVE PROPERTIES COMPANY (US) 2005-03-08 US claimed
EP-1433211-A2 SUBSTITUTED PENTACENE SEMICONDUCTORS 3M Innovative Properties Company (US) 2004-06-30 EP claimed
US-20030105365-A1 Comprise at least one substituent selected from electron-donating substituents, halogen substituents, and combinations thereof; organic thin-film transistors 3M INNOVATIVE PROPERTIES COMPANY 2003-06-05 US claimed
WO-2003028125-A2 SUBSTITUTED PENTACENE SEMICONDUCTORS 3M INNOVATIVE PROPERTIES COMPANY (US) 2003-04-03 WO claimed
US-7651885-B2 Electronic device fabrication process XEROX CORPORATION (US) 2010-01-26 US disclosed
US-20070141747-A1 Electronic device fabrication process XEROX CORPORATION 2007-06-21 US disclosed
EP-1433211-B1 SUBSTITUTED PENTACENE SEMICONDUCTORS 3M INNOVATIVE PROPERTIES CO (US) 2006-06-21 EP disclosed
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
US-6864396-B2 Comprise at least one substituent selected from electron-donating substituents, halogen substituents, and combinations thereof; organic thin-film transistors 3M INNOVATIVE PROPERTIES COMPANY (US) 2005-03-08 US disclosed
EP-1433211-A2 SUBSTITUTED PENTACENE SEMICONDUCTORS 3M Innovative Properties Company (US) 2004-06-30 EP disclosed
EP-1430008-A2 PROCESS FOR PREPARING PENTACENE DERIVATIVES 3M Innovative Properties Company (US) 2004-06-23 EP disclosed
US-20030105365-A1 Comprise at least one substituent selected from electron-donating substituents, halogen substituents, and combinations thereof; organic thin-film transistors 3M INNOVATIVE PROPERTIES COMPANY 2003-06-05 US 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-2003028125-A2 SUBSTITUTED PENTACENE SEMICONDUCTORS 3M INNOVATIVE PROPERTIES COMPANY (US) 2003-04-03 WO 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 (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-20050288522-A1 Process for preparing pentacene derivatives RARA, RARB, C9 ALDH1A1 1561/4885USP2 1588/4885GAA 4296/4885
US-20030097010-A1 Process for preparing pentacene derivatives H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, PCBP1, RARA ALDH1A1 1091/4885USP2 1671/4885GAA 4073/4885
US-20030105365-A1 Comprise at least one substituent selected from electron-donating substituents, halogen substituents, and combinations thereof; organic thin-film transistors ETV1, HTR3C, SLC43A1 ALDH1A1 1887/4885USP2 4043/4885GAA 4544/4885
US-20030100779-A1 Process for preparing pentacene derivatives H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, PCBP1, RARA ALDH1A1 1091/4885USP2 1671/4885GAA 4073/4885

“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.