SCHEMBL6289858

SCHEMBL6289858

CCC(C)c1ccc(Oc2ccc(C(C)CC)c(Oc3ccc(F)cc3)c2)cc1Oc1ccc(F)cc1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 8/20 0.40
HTR2A P28223 7/20 0.40
KCNH2 Q12809 7/20 0.40
CACNA1C Q13936 1/20 0.38
CASP1 P29466 1/20 0.38
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C19 P33261 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
PPARD Q03181 2/20 0.37
PPARA Q07869 2/20 0.37
CARM1 Q86X55 1/20 0.36
PRMT6 Q96LA8 1/20 0.36
POLB P06746 1/20 0.35
ATM Q13315 1/20 0.35
SLC6A2 P23975 1/20 0.34
SLC6A3 Q01959 1/20 0.34
FDFT1 P37268 2/20 0.34

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
SCHEMBL6290582 1.00 SLC6A4 (0.40) SLC6A4HTR2AKCNH2CACNA1CCASP1
SCHEMBL6289842 0.88 MMP14 (0.40) SLC6A4HTR2AKCNH2CACNA1CCASP1
SCHEMBL12808430 0.76 ALDH1A1 (0.49) CASP1TDP1
SCHEMBL12808389 0.74 HSPB1 (0.42) SLC6A4HTR2AKCNH2CACNA1CCASP1
SCHEMBL21970592 0.74 CASP1 (0.52) SLC6A4HTR2AKCNH2CASP1L3MBTL1
SCHEMBL19003617 0.73 KDM4E (0.43) HTR2AKCNH2L3MBTL1
SCHEMBL19121664 0.73 KDM4E (0.43) HTR2AKCNH2L3MBTL1
SCHEMBL17660080 0.72 TDP1 (0.46) TDP1POLB
SCHEMBL20621639 0.72 SLC6A4 (0.44) SLC6A4HTR2AKCNH2CYP1A2CYP2D6
SCHEMBL12606793 0.71 CA12 (0.50) HTR2ACYP1A2CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6933411-B2 Aromatic diamine and polyimide thereof MITSUI CHEMICALS, INC. (JP) 2005-08-23 US disclosed
US-6737503-B2 LOW TEMPERATURE ADHESIVE BONDING MITSUI CHEMICALS, INC. (JP) 2004-05-18 US disclosed
US-20040082754-A1 Novel aromatic diamine and polyimide thereof MITSUI CHEMICALS, INC. (JP) 2004-04-29 US disclosed
US-20030092870-A1 Novel aromatic diamine and polyimide thereof MITSUI CHEMICALS, INC. (JP) 2003-05-15 US disclosed
EP-1288191-A2 Novel aromatic diamine and polyimide thereof Mitsui Chemicals, Inc. (JP) 2003-03-05 EP 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 (1 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-20030092870-A1 Novel aromatic diamine and polyimide thereof DDT, AOC1, H1-4 SLC6A4 1103/4885HTR2A 3542/4885KCNH2 1626/4885

“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.