SCHEMBL4076370

SCHEMBL4076370

Cc1ccc(C(C)Br)cc1C

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.43
PTGS1 P23219 2/20 0.41
TRPA1 O75762 1/20 0.41
CACNA1C Q13936 1/20 0.41
ALDH1A1 P00352 2/20 0.39
TP53 P04637 1/20 0.37
TDP1 Q9NUW8 3/20 0.35
HPGD P15428 1/20 0.34
TSHR P16473 3/20 0.32
PRSS1 P07477 1/20 0.32
PRSS2 P07478 1/20 0.32
PRSS3 P35030 1/20 0.32
S1PR1 P21453 1/20 0.31
CYP3A4 P08684 1/20 0.31
MAPK1 P28482 1/20 0.31
PTGS2 P35354 1/20 0.31
ACHE P22303 2/20 0.30
BCHE P06276 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
SCHEMBL11856251 0.81 LMNA (0.40) LMNAPTGS1TRPA1CACNA1C
SCHEMBL10830816 0.81 S1PR1 (0.46) LMNAPTGS1TRPA1CACNA1CALDH1A1
SCHEMBL11863067 0.81 LMNA (0.35) LMNAPTGS1TRPA1CACNA1C
SCHEMBL27755266 0.81 CHRNA1 (0.38) LMNAPTGS1TRPA1CACNA1CALDH1A1
SCHEMBL11635848 0.79 CYP3A4 (0.45) LMNAPTGS1TRPA1CACNA1CALDH1A1
SCHEMBL8299293 0.79 AKR1C3 (0.45) LMNAPTGS1TRPA1CACNA1CALDH1A1
SCHEMBL10539163 0.79 UGT2B7 (0.41) LMNAPTGS1TRPA1CACNA1CTSHR
SCHEMBL2336888 0.79 LMNA (0.46) LMNAPTGS1TRPA1CACNA1CALDH1A1
SCHEMBL30475871 0.79 LMNA (0.46) LMNAPTGS1TRPA1CACNA1CALDH1A1
SCHEMBL29352459 0.79 LMNA (0.46) LMNAPTGS1TRPA1CACNA1CALDH1A1

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-3962357-A FROM SUBSTITUTED ETHYLTOLUENE, CONTINUOUS, SINGLE STEP ROHM AND HAAS COMPANY (US) 1976-06-08 US claimed
US-20210111355-A1 Tetradentate Platinum And Palladium Complex Emitters Containing Phenyl-Pyrazole And Its Analogues UNIV ARIZONA STATE (US) 2021-04-15 US disclosed
US-8729110-B1 2-thio-1,3,4-oxadiazoles derivatives as sphingosine-1 phosphate receptors modulators ALLERGAN, INC. (US) 2014-05-20 US disclosed
US-7488748-B2 3,6-Disubstituted azabicyclo hexane derivatives as muscarinic receptor antagonists RANBAXY LABORATORIES LIMITED (IN) 2009-02-10 US disclosed
US-20060247225-A1 3,6-Disubstituted azabicyclo hexane derivatives as muscarinic receptor antagonists RANBAXY LABORATORIES LIMITED (IN) 2006-11-02 US disclosed
EP-1590325-A1 3,6-DISUBSTITUTED AZABICYCLO HEXANE DERIVATIVES AS MUSCARINIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES, LTD. (IN) 2005-11-02 EP disclosed
WO-2004067510-A1 3,6-DISUBSTITUTED AZABICYCLO HEXANE DERIVATIVES AS MUSCARINIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES LIMITED (IN) 2004-08-12 WO disclosed
EP-0950048-A1 1-PHENYLALKYL-1,2,3,6-TETRAHYDROPYRIDINES FOR TREATING ALZHEIMER'S DISEASE SANOFI-SYNTHELABO (FR) 1999-10-20 EP disclosed
WO-1998025903-A1 1-PHENYLALKYL-1,2,3,6-TETRAHYDROPYRIDINES FOR TREATING ALZHEIMER'S DISEASE SANOFI (FR) 1998-06-18 WO disclosed
US-3962357-A FROM SUBSTITUTED ETHYLTOLUENE, CONTINUOUS, SINGLE STEP ROHM AND HAAS COMPANY (US) 1976-06-08 US 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-20210111355-A1 Tetradentate Platinum And Palladium Complex Emitters Containing Phenyl-Pyrazole And Its Analogues PDCD1, PDCD11, TYMP LMNA 4731/4885PTGS1 3986/4885TRPA1 1685/4885
US-20060247225-A1 3,6-Disubstituted azabicyclo hexane derivatives as muscarinic receptor antagonists CHRM3, CHRM5, CHRM2 LMNA 4583/4885PTGS1 1145/4885TRPA1 213/4885

“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.