SCHEMBL3704663

SCHEMBL3704663

CC(=O)c1c(Cl)ccc2c1Cc1ccccc1-2

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.50
NPC1 O15118 5/20 0.50
HTR2B P41595 3/20 0.43
HTR2C P28335 2/20 0.43
CYP1A2 P05177 1/20 0.43
ADRA2A P08913 1/20 0.43
MAOA P21397 1/20 0.43
SLC6A2 P23975 1/20 0.43
SLC6A4 P31645 1/20 0.43
HSP90AA1 P07900 1/20 0.41
SRD5A2 P31213 1/20 0.41
HTR7 P34969 2/20 0.40
ALDH1A1 P00352 2/20 0.39
DRD2 P14416 1/20 0.38
ADRA1D P25100 1/20 0.38
HTR2A P28223 1/20 0.38
ADRA1A P35348 1/20 0.38
ADRA1B P35368 1/20 0.38
PNMT P11086 1/20 0.38
MAPT P10636 2/20 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
SCHEMBL3706194 0.86 HSP90AA1 (0.49) RAB9ANPC1HTR2BHTR2CCYP1A2
SCHEMBL30961640 0.86 HSP90AA1 (0.49) RAB9ANPC1HTR2BHTR2CCYP1A2
SCHEMBL7796635 0.84 RAB9A (0.50) RAB9ANPC1HTR2BHTR2CCYP1A2
SCHEMBL29203884 0.84 LMNA (0.47) RAB9ANPC1HTR2BHTR2CCYP1A2
SCHEMBL3704672 0.83 SRD5A2 (0.46) RAB9ANPC1HTR2BHTR2CHSP90AA1
SCHEMBL7937330 0.83 RAB9A (0.51) RAB9ANPC1HTR2BHTR2CCYP1A2
Acetic Acid SCHEMBL28241870 0.81 NPC1 (0.50) RAB9ANPC1HTR2BHTR2CCYP1A2
SCHEMBL672642 0.75 PNMT (0.47) RAB9ANPC1HTR2BHTR2CCYP1A2
SCHEMBL18242145 0.75 PNMT (0.43) RAB9ANPC1HTR2BHTR2CCYP1A2
SCHEMBL29355284 0.75 PNMT (0.47) RAB9ANPC1HTR2BHTR2CCYP1A2

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-2460789-B1 METHOD FOR PRODUCING BIARYL COMPOUND SUMITOMO CHEMICAL CO (JP) 2017-04-19 EP disclosed
US-9079830-B2 Method for producing biaryl compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2015-07-14 US disclosed
EP-2460789-A1 METHOD FOR PRODUCING BIARYL COMPOUND Sumitomo Chemical Company, Limited (JP) 2012-06-06 EP disclosed
US-20120123154-A1 METHOD FOR PRODUCING BIARYL COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-05-17 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 (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-20120123154-A1 METHOD FOR PRODUCING BIARYL COMPOUND AKR7A2, AOC2, CBR1 RAB9A 856/4885NPC1 1442/4885HTR2B 2158/4885

“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.