SCHEMBL3783707

SCHEMBL3783707

CCCCOc1c(N)cccc1Cl

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.53
CYP2C9 P11712 1/20 0.53
CYP2C19 P33261 1/20 0.53
L3MBTL1 Q9Y468 2/20 0.44
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 2/20 0.42
BCHE P06276 5/20 0.42
ACHE P22303 5/20 0.42
HSD17B10 Q99714 1/20 0.41
HPGD P15428 1/20 0.41
TSHR P16473 2/20 0.40
MCHR1 Q99705 1/20 0.40
GLA P06280 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NR4A2 P43354 1/20 0.38
LTA4H P09960 1/20 0.38
KCNH2 Q12809 1/20 0.38

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
SCHEMBL10437723 0.95 CYP1A2 (0.47) CYP1A2CYP2C9CYP2C19L3MBTL1KDM4E
SCHEMBL3786689 0.91 L3MBTL1 (0.45) CYP1A2CYP2C9CYP2C19L3MBTL1KDM4E
SCHEMBL11233036 0.87 L3MBTL1 (0.54) CYP1A2CYP2C9CYP2C19L3MBTL1KDM4E
SCHEMBL3785150 0.83 ALDH1A1 (0.48) L3MBTL1KDM4EALDH1A1BCHEACHE
SCHEMBL17959491 0.81 PLAU (0.42) L3MBTL1KDM4EALDH1A1BCHEACHE
SCHEMBL3787026 0.80 L3MBTL1 (0.57) CYP1A2CYP2C9CYP2C19L3MBTL1KDM4E
SCHEMBL28471208 0.79 TSHR (0.56) CYP1A2CYP2C9CYP2C19KDM4EALDH1A1
SCHEMBL20414593 0.79 L3MBTL1 (0.51) L3MBTL1KDM4EALDH1A1HPGDTSHR
SCHEMBL8068646 0.79 KDM4E (0.49) L3MBTL1KDM4EALDH1A1LTA4H
Formic Acid SCHEMBL27624594 0.77 KMT2A (0.47) L3MBTL1KDM4EALDH1A1HPGDTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2776398-B1 SUBSTITUTED PYRAZOLYL-BASED UREA DERIVATIVES AS VANILLOID RECEPTOR LIGANDS MEDIFRON DBT INC (KR) 2020-09-02 EP disclosed
US-20100087680-A1 METHOD FOR PRODUCING BIARYL COMPOUND SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2010-04-08 US disclosed
EP-1914221-A1 PROCESS FOR PRODUCING BIARYL COMPOUND Sumitomo Chemical Company, Limited (JP) 2008-04-23 EP disclosed
EP-0362729-A1 Process for producing water insoluble azo dyes on the fibre HOECHST AKTIENGESELLSCHAFT (DE) 1990-04-11 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-20100087680-A1 METHOD FOR PRODUCING BIARYL COMPOUND NISCH, BLVRB, BBOX1 CYP1A2 170/4885CYP2C9 157/4885CYP2C19 196/4885

“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.