SCHEMBL7922013

SCHEMBL7922013

N#Cc1cc(F)cc(Cl)c1F

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 3/20 0.38
KHK P50053 1/20 0.37
CYP11B2 P19099 4/20 0.36
ALDH1A1 P00352 2/20 0.34
PGK1 P00558 1/20 0.33
AR P10275 2/20 0.33
VCAM1 P19320 1/20 0.32
GRM5 P41594 1/20 0.32
CYP11B1 P15538 2/20 0.32
EPAS1 Q99814 1/20 0.31
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
CYP1A2 P05177 1/20 0.31
HPGD P15428 1/20 0.31
CYP2C19 P33261 1/20 0.31
KMT2A Q03164 1/20 0.31
CNR1 P21554 2/20 0.31
CNR2 P34972 2/20 0.31
MAPK1 P28482 1/20 0.31

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
SCHEMBL30107963 1.00 TRPV4 (0.38) TRPV4KHKCYP11B2ALDH1A1PGK1
SCHEMBL9488312 0.83 TRPV4 (0.41) TRPV4KHKCYP11B2CYP11B1EPAS1
SCHEMBL9844450 0.82 TRPV4 (0.38) TRPV4KHKCYP11B2ALDH1A1PGK1
SCHEMBL9693924 0.82 GPR35 (0.41) TRPV4KHKCYP11B2ALDH1A1AR
SCHEMBL16122643 0.80 GRM5 (0.42) TRPV4KHKCYP11B2ALDH1A1VCAM1
SCHEMBL8664249 0.79 TRPV4 (0.39) TRPV4KHKCYP11B2ALDH1A1PGK1
SCHEMBL792557 0.78 TRPV4 (0.35) TRPV4KHKCYP11B2ALDH1A1PGK1
SCHEMBL793224 0.78 KHK (0.43) TRPV4KHKCYP11B2ALDH1A1PGK1
SCHEMBL13755146 0.78 TRPV4 (0.35) TRPV4KHKCYP11B2ALDH1A1PGK1
SCHEMBL16236615 0.78 KHK (0.43) TRPV4KHKCYP11B2ALDH1A1CYP11B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11957049-B2 Organic molecules, in particular for use in optoelectronic devices SAMSUNG DISPLAY CO., LTD. (KR) 2024-04-09 US disclosed
CN-115650883-B Method for synthesizing aniline and derivatives thereof by using nickel-ammonium complex as ammonia slow release agent 陕西师范大学 2023-10-17 CN disclosed
CN-115650883-A Method for synthesizing aniline and its derivative by using nickel-ammonium complex as ammonia slow-release agent 陕西师范大学 2023-01-31 CN disclosed
US-20190006600-A1 ORGANIC MOLECULES, IN PARTICULAR FOR USE IN OPTOELECTRONIC DEVICES CYNORA GMBH (DE) 2019-01-03 US disclosed
EP-1140735-A1 PREPARATION OF NUCLEAR CHLORINATED AROMATIC COMPOUNDS OCCIDENTAL CHEMICAL CORPORATION (US) 2001-10-10 EP disclosed
WO-2000040524-A1 PREPARATION OF NUCLEAR CHLORINATED AROMATIC COMPOUNDS OCCIDENTAL CHEMICAL CORPORATION (US) 2000-07-13 WO disclosed
US-5981789-A CHLORODENITRATING AROMATIC COMPOUNDS USING LESS CHLORINATING AGENT AND LOWER TEMPERATURES, THEN RECYCLING THE PRODUCT MIXTURE TO INCREASE THE YIELD OCCIDENTAL CHEMICAL CORPORATION (US) 1999-11-09 US disclosed
US-4704483-A FLUORINATION WITH POTASSIUM FLUORIDE OCCIDENTAL CHEMICAL CORPORATION (US) 1987-11-03 US disclosed
US-4582948-A VAPOR PHASE CHLORO-DENITRATION REACTION OCCIDENTAL CHEMICAL CORPORATION (US) 1986-04-15 US disclosed
EP-0159388-A2 Preparation of nuclear chlorinated compounds OCCIDENTAL CHEMICAL CORPORATION (US) 1985-10-30 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 (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-20190006600-A1 ORGANIC MOLECULES, IN PARTICULAR FOR USE IN OPTOELECTRONIC DEVICES OR10J3, ORC3, ORAI3 TRPV4 341/4885KHK 4105/4885CYP11B2 1284/4885
US-11957049-B2 Organic molecules, in particular for use in optoelectronic devices OR10J3, ORC3, ORAI3 TRPV4 324/4885KHK 3983/4885CYP11B2 1592/4885

“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.