SCHEMBL6014019

SCHEMBL6014019

O=C(O)c1cc(C(=O)c2ccccc2)c(C(=O)O)cc1C(=O)c1ccccc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 3/20 0.71
KDM4E B2RXH2 1/20 0.70
CYP2C8 P10632 1/20 0.64
CYP2C9 P11712 1/20 0.64
CDC25B P30305 2/20 0.61
CDC25A P30304 1/20 0.61
HSD17B10 Q99714 1/20 0.61
ALDH1A1 P00352 2/20 0.59
ATM Q13315 2/20 0.56
TDP1 Q9NUW8 2/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
SRD5A2 P31213 1/20 0.56
POLB P06746 2/20 0.55
GAA P10253 2/20 0.54
MAPT P10636 2/20 0.54
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
NR4A1 P22736 1/20 0.53
USP2 O75604 1/20 0.53
KEAP1 Q14145 1/20 0.53

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
SCHEMBL15793780 1.00 AKR1C3 (0.71) AKR1C3KDM4ECYP2C8CYP2C9CDC25B
SCHEMBL6056968 1.00 AKR1C3 (0.71) AKR1C3KDM4ECYP2C8CYP2C9CDC25B
SCHEMBL30549431 1.00 AKR1C3 (0.71) AKR1C3KDM4ECYP2C8CYP2C9CDC25B
SCHEMBL7821719 0.89 KDM4E (0.63) AKR1C3KDM4ECYP2C8CYP2C9CDC25B
SCHEMBL8380031 0.88 KDM4E (0.58) AKR1C3KDM4ECYP2C8CYP2C9CDC25B
SCHEMBL8380475 0.88 KDM4E (0.58) AKR1C3KDM4ECYP2C8CYP2C9CDC25B
SCHEMBL8785619 0.87 KDM4E (0.61) AKR1C3KDM4ECYP2C8CYP2C9CDC25B
SCHEMBL8784827 0.87 KDM4E (0.61) AKR1C3KDM4ECYP2C8CYP2C9CDC25B
SCHEMBL28486818 0.87 CYP2C8 (0.56) AKR1C3KDM4ECYP2C8CYP2C9CDC25B
SCHEMBL7822787 0.86 CYP2C8 (0.64) AKR1C3KDM4ECYP2C8CYP2C9CDC25B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1722376-A1 ELECTROACTIVE POLYMER AND MATERIAL BASED THEREON Koltsova, Anastasia Adrianovna (RU) 2006-11-15 EP claimed
EP-1722376-A1 ELECTROACTIVE POLYMER AND MATERIAL BASED THEREON Koltsova, Anastasia Adrianovna (RU) 2006-11-15 EP 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
CN-1592729-A Process for preparing pentacene derivatives 3M INNOVATIVE PROPERTIES CO (US) 2005-03-09 CN 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
CN-1582506-A Substituted pentacene semiconductors 3M INNOVATIVE PROPERTIES CO (US) 2005-02-16 CN 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-2003027050-A2 PROCESS FOR PREPARING PENTACENE DERIVATIVES 3M INNOVATIVE PROPERTIES COMPANY (US) 2003-04-03 WO disclosed
US-4417059-A COLOR FORMERS FOR CARBONLESS DUPLICATING AND THERMAL MARKING STERLING DRUG INC. (US) 1983-11-22 US disclosed
US-4343493-A LEUCO DYES; CARBON-FREE; PRESSURE SENSITIVE ELEMENTS; THERMOSENSITIVITY STERLING DRUG INC. (US) 1982-08-10 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-20050288522-A1 Process for preparing pentacene derivatives RARA, RARB, C9 AKR1C3 507/4885KDM4E 2446/4885CYP2C8 1284/4885
US-20030097010-A1 Process for preparing pentacene derivatives H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, PCBP1, RARA AKR1C3 718/4885KDM4E 3301/4885CYP2C8 131/4885
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 AKR1C3 802/4885KDM4E 357/4885CYP2C8 292/4885
US-20030100779-A1 Process for preparing pentacene derivatives H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, PCBP1, RARA AKR1C3 718/4885KDM4E 3301/4885CYP2C8 131/4885

“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.