SCHEMBL1687706

SCHEMBL1687706

CCCC(C)c1nccs1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 2/20 0.36
CYP2D6 P10635 4/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
FBP1 P09467 1/20 0.36
HRH1 P35367 4/20 0.36
KCNH2 Q12809 3/20 0.36
CHRM1 P11229 2/20 0.36
LMNA P02545 1/20 0.35
FFAR2 O15552 1/20 0.35
MAPKAPK2 P49137 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
POLB P06746 1/20 0.33
GAA P10253 1/20 0.33
TSHR P16473 1/20 0.33
NOS1 P29475 1/20 0.33
HSD17B10 Q99714 1/20 0.33

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
SCHEMBL24087245 0.89 CTSK (0.37) KDM4EALDH1A1CYP2D6CYP1A2CYP3A4
SCHEMBL4312352 0.83
SCHEMBL1532491 0.83
SCHEMBL16357614 0.82 SLC6A2 (0.35) KDM4EALDH1A1CYP2D6HRH1KCNH2
SCHEMBL5803213 0.82 ALDH1A1 (0.37) KDM4EALDH1A1CYP2D6FBP1HRH1
SCHEMBL8557312 0.82 ALDH1A1 (0.37) KDM4EALDH1A1CYP2D6FBP1HRH1
SCHEMBL12193817 0.82 FBP1 (0.37) KDM4EALDH1A1CYP2D6CYP1A2CYP3A4
SCHEMBL20694152 0.79 SLC6A2 (0.48) KDM4EHRH1LMNAMAPKAPK2SLC6A2
SCHEMBL2087810 0.79 ALDH1A1 (0.34) KDM4EALDH1A1CYP2D6FBP1HRH1
SCHEMBL24087824 0.79 KDM4E (0.35) KDM4EALDH1A1CYP2D6FBP1HRH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3692040-B1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE IP DEV LTD (GB) 2022-12-28 EP disclosed
WO-2021156636-A1 TRIAZOLE DERIVATIVES WITH ANTIFUNGAL ACTIVITY KING'S COLLEGE LONDON (GB) 2021-08-12 WO disclosed
WO-2020248123-A1 HYDROXYPYRROLIDINE-SUBSTITUTED ARYLSULFONAMIDE COMPOUNDS WITH SELECTIVE ACTIVITY IN VOLTAGE-GATED SODIUM CHANNELS MERCK SHARP & DOHME CORP. (US) 2020-12-17 WO disclosed
EP-3616753-A1 COMPOUNDS FOR MODULATING ADENOSINE A2B RECEPTOR AND ADENOSINE A2A RECEPTOR Corvus Pharmaceuticals, Inc. (US) 2020-03-04 EP disclosed
US-20120190868-A1 SUBSTITUTED BENZOCHALCOGENOACENE COMPOUND, THIN FILM COMPRISING THE COMPOUND, AND ORGANIC SEMICONDUCTOR DEVICE INCLUDING THE THIN FILM NATIONAL UNIVERSITY CORPORATION NAGOYA UNIVERSITY (JP) 2012-07-26 US disclosed
EP-2452942-A1 SUBSTITUTED BENZOCHALCOGENOACENE COMPOUND, THIN FILM COMPRISING THE COMPOUND, AND ORGANIC SEMICONDUCTOR DEVICE INCLUDING THE THIN FILM Sumitomo Chemical Company, Limited (JP) 2012-05-16 EP disclosed
WO-2012046818-A1 METHOD FOR PRODUCING CHALCOGEN-CONTAINING CONDENSED POLYCYCLIC COMPOUND 住友化学株式会社 (JP) 2012-04-12 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 (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-20120190868-A1 SUBSTITUTED BENZOCHALCOGENOACENE COMPOUND, THIN FILM COMPRISING THE COMPOUND, AND ORGANIC SEMICONDUCTOR DEVICE INCLUDING THE THIN FILM EBPL, SAAL1, APOL1 KDM4E 2974/4885ALDH1A1 2070/4885CYP2D6 1660/4885

“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.