SCHEMBL7080840

SCHEMBL7080840

CON=C(OC)c1c(Cl)ccc(C(=O)Cl)c1Cl

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
ALDH1A1 P00352 4/20 0.36
KDM4E B2RXH2 1/20 0.36
HSD17B10 Q99714 1/20 0.36
TAS1R3 Q7RTX0 3/20 0.32
TAS1R1 Q7RTX1 3/20 0.32
NOTUM Q6P988 1/20 0.31
POLB P06746 2/20 0.31
TSHR P16473 1/20 0.31
MAPT P10636 1/20 0.31
RAB9A P51151 1/20 0.31
ABL1 P00519 1/20 0.30
TYK2 P29597 2/20 0.30
MEN1 O00255 2/20 0.30
KMT2A Q03164 2/20 0.30
NPC1 O15118 1/20 0.30
PTGS2 P35354 1/20 0.30

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
SCHEMBL7177931 0.88 ABL1 (0.40) CYP1A2CYP2D6CYP2C9CYP2C19ALDH1A1
SCHEMBL7173359 0.88 ALDH1A1 (0.42) CYP1A2CYP2D6CYP2C9CYP2C19ALDH1A1
SCHEMBL7463501 0.79 CA12 (0.41) ALDH1A1KDM4EHSD17B10TAS1R3TAS1R1
SCHEMBL7174222 0.78 HPD (0.33) TAS1R3TAS1R1TAS1R2
SCHEMBL7707415 0.74 ALDH1A1 (0.54) ALDH1A1KDM4EHSD17B10POLBTSHR
SCHEMBL7172627 0.72 ABL1 (0.45) ALDH1A1KDM4EHSD17B10TAS1R3TAS1R1
SCHEMBL8435434 0.72 ALDH1A1 (0.41) ALDH1A1KDM4EHSD17B10POLBTSHR
SCHEMBL7467250 0.68 ABL1 (0.47) ALDH1A1KDM4EHSD17B10TAS1R3TAS1R1
SCHEMBL9118991 0.67 ABL1 (0.39) ALDH1A1KDM4EHSD17B10TAS1R3TAS1R1
SCHEMBL967909 0.66 CYP3A4 (0.44) ALDH1A1KDM4ETSHRMAPTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0960100-B1 SUBSTITUTED 4-BENZOYL-PYRAZOLES BASF AG (DE) 2003-07-09 EP disclosed
US-6576596-B1 Compatible with crop plants BASF AKTIENGESELLSCHAFT (DE) 2003-06-10 US disclosed
US-6462240-B2 FROMING 2-LITHIOBENZOTRIFLORIDE FROM BENZOTRIFLUORIDE AND ALKYLLITHIUM DOW AGROSCIENCES LLC 2002-10-08 US disclosed
EP-0958276-B1 SUBSTITUTED 2-BENZOYL-CYCLOHEXAN-1,3-DIONES WITH HERBICIDAL EFFECT BASF AG (DE) 2002-03-13 EP disclosed
US-20020010375-A1 Process for the selective deprotonation and functionalization of 3-substituted benzotrifluorides CORTEVA AGRISCIENCE LLC 2002-01-24 US disclosed
EP-1173420-A2 HETEROCYCLIC COMPOUNDS HAVING ANTITUMOR ACTIVITY Novuspharma S.p.A. (IT) 2002-01-23 EP disclosed
WO-2000053581-A2 HETEROCYCLIC COMPOUNDS HAVING ANTITUMOR ACTIVITY NOVUSPHARMA S.P.A. (IT) 2000-09-14 WO disclosed
US-6028035-A HERBICIDES BASF AKTIENGESELLSCHAFT (DE) 2000-02-22 US disclosed
EP-0960100-A1 SUBSTITUTED 4-BENZOYL-PYRAZOLES BASF AKTIENGESELLSCHAFT (DE) 1999-12-01 EP disclosed
EP-0958276-A1 SUBSTITUTED 2-BENZOYL-CYCLOHEXAN-1,3-DIONES WITH HERBICIDAL EFFECT BASF AKTIENGESELLSCHAFT (DE) 1999-11-24 EP disclosed
WO-1998029392-A1 SUBSTITUTED 4-BENZOYL-PYRAZOLES BASF AKTIENGESELLSCHAFT (DE) 1998-07-09 WO disclosed
WO-1998029384-A1 SUBSTITUTED 2-BENZOYL-CYCLOHEXAN-1,3-DIONES WITH HERBICIDAL EFFECT BASF AKTIENGESELLSCHAFT (DE) 1998-07-09 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-20020010375-A1 Process for the selective deprotonation and functionalization of 3-substituted benzotrifluorides BPTF, FGFR2, FGFR4 CYP1A2 1167/4885CYP2D6 1281/4885CYP2C9 533/4885

“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.