SCHEMBL4041645

SCHEMBL4041645

CC(=O)c1cc2c(cc1O)CCCC2

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.47
ALDH1A1 P00352 5/20 0.47
MAPT P10636 4/20 0.47
MEN1 O00255 4/20 0.47
KMT2A Q03164 4/20 0.47
KDM4E B2RXH2 4/20 0.47
GAA P10253 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
PKM P14618 1/20 0.47
HPGD P15428 6/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
MAPK1 P28482 2/20 0.43
TDP1 Q9NUW8 2/20 0.43
ALOX15 P16050 2/20 0.43
CYP3A4 P08684 5/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41

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
SCHEMBL31009038 0.96 HTT (0.47) HTTALDH1A1MAPTMEN1KMT2A
SCHEMBL3895440 0.96 HTT (0.47) HTTALDH1A1MAPTMEN1KMT2A
SCHEMBL30450806 0.82 ALDH1A1 (0.43) HTTALDH1A1MAPTKDM4EGAA
SCHEMBL6283017 0.81 ALDH1A1 (0.52) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL9331697 0.79 MAPT (0.42) HTTALDH1A1MAPTMEN1KMT2A
SCHEMBL23090388 0.79 ALDH1A1 (0.50) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL28663847 0.79 TSHR (0.45) HTTALDH1A1MAPTKDM4EL3MBTL1
SCHEMBL11316463 0.79 ALDH1A1 (0.52) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL2884559 0.79 CA12 (0.50) HTTALDH1A1MAPTMEN1KMT2A
SCHEMBL11453172 0.79 HMGCR (0.51) HTTALDH1A1MAPTMEN1KMT2A

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
US-7638554-B2 Flavanoids as chemotherapeutic, chemopreventive, and antiangiogenic agents SRI INTERNATIONAL (US) 2009-12-29 US disclosed
US-7638554-B2 Flavanoids as chemotherapeutic, chemopreventive, and antiangiogenic agents SRI INTERNATIONAL (US) 2009-12-29 US disclosed
US-7638554-B2 Flavanoids as chemotherapeutic, chemopreventive, and antiangiogenic agents SRI INTERNATIONAL (US) 2009-12-29 US disclosed
EP-1495014-B1 FLAVANOIDS DERIVATIVES AS CHEMOTHERAPEUTIC, CHEMOPREVENTIVE, AND ANTIANGIOGENIC AGENTS STANFORD RES INST INT (US) 2009-07-29 EP disclosed
EP-1495014-B1 FLAVANOIDS DERIVATIVES AS CHEMOTHERAPEUTIC, CHEMOPREVENTIVE, AND ANTIANGIOGENIC AGENTS STANFORD RES INST INT (US) 2009-07-29 EP disclosed
US-7329687-B2 Flavanoid compounds as chemotherapeutic, chemopreventive, and antiangiogenic agents SRI INTERNATIONAL (US) 2008-02-12 US disclosed
US-7329687-B2 Flavanoid compounds as chemotherapeutic, chemopreventive, and antiangiogenic agents SRI INTERNATIONAL (US) 2008-02-12 US disclosed
US-7329687-B2 Flavanoid compounds as chemotherapeutic, chemopreventive, and antiangiogenic agents SRI INTERNATIONAL (US) 2008-02-12 US disclosed
US-20060264500-A1 Novel flavanoids as chemotherapeutic, chemopreventive, and antiangiogenic agents SRI INTERNATIONAL (US) 2006-11-23 US disclosed
EP-1495014-A2 NOVEL FLAVANOIDS AND CHALCONES AS CHEMOTHERAPEUTIC, CHEMOPREVENTIVE, AND ANTIANGIOGENIC AGENTS Sri International (US) 2005-01-12 EP disclosed
US-20040029914-A1 Novel flavanoids as chemotherapeutic, chemopreventive, and antiangiogenic agents SRI INTERNATIONAL 2004-02-12 US disclosed
WO-2003089423-A2 NOVEL FLAVANOIDS AND CHALCONES AS CHEMOTHERAPEUTIC, CHEMOPREVENTIVE, AND ANTIANGIOGENIC AGENTS SRI INTERNATIONAL (US) 2003-10-30 WO disclosed
US-4238606-A ANTIALLERGANS FISONS LIMITED (GB) 1980-12-09 US disclosed
US-4226613-A Bisthiocarbamic acid esters and herbicidal use thereof BASF AKTIENGESELLSCHAFT (DE) 1980-10-07 US disclosed
US-4159273-A ANTIALLERGENS, ANTIHISTAMINES FISONS LIMITED (GB) 1979-06-26 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 (2 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-20060264500-A1 Novel flavanoids as chemotherapeutic, chemopreventive, and antiangiogenic agents FLT1, CCNE1, CCNA1 HTT 2588/4885ALDH1A1 229/4885MAPT 4598/4885
US-20040029914-A1 Novel flavanoids as chemotherapeutic, chemopreventive, and antiangiogenic agents FLT1, VEGFA, FLT4 HTT 3160/4885ALDH1A1 175/4885MAPT 4731/4885

“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.