SCHEMBL7187475

SCHEMBL7187475

CC(=O)Nc1ccc(-c2ccc(C)cc2)c(C)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.61
ALDH1A1 P00352 3/20 0.56
POLB P06746 1/20 0.56
HPGD P15428 1/20 0.56
SMN1; SMN2 Q16637 2/20 0.53
HTT P42858 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
MAOA P21397 2/20 0.51
HSD17B10 Q99714 1/20 0.50
PKM P14618 1/20 0.50
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
C3AR1 Q16581 1/20 0.49
RXFP1 Q9HBX9 1/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
MAPT P10636 1/20 0.49
MAPK1 P28482 1/20 0.48
ADORA3 P0DMS8 1/20 0.47
SLC1A3 P43003 1/20 0.47

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
SCHEMBL12431305 0.90 TDP1 (0.61) TDP1ALDH1A1POLBHPGDSMN1; SMN2
SCHEMBL4168384 0.88 ALDH1A1 (0.56) TDP1ALDH1A1POLBHPGDSMN1; SMN2
SCHEMBL7192635 0.87 SLC1A3 (0.61) ALDH1A1HPGDSMN1; SMN2HTTL3MBTL1
SCHEMBL29131169 0.87 TDP1 (0.61) TDP1ALDH1A1POLBHPGDSMN1; SMN2
SCHEMBL7188387 0.87 MAPT (0.57) ALDH1A1POLBHPGDSMN1; SMN2MAOA
SCHEMBL4436251 0.86 CYP1A2 (0.52) ALDH1A1HPGDSMN1; SMN2HTTL3MBTL1
SCHEMBL6099338 0.83 SLC2A1 (0.54) TDP1ALDH1A1SMN1; SMN2HTTL3MBTL1
SCHEMBL11244788 0.80 TDP1 (0.87) TDP1ALDH1A1POLBHPGDSMN1; SMN2
SCHEMBL3731505 0.79 TDP1 (0.51) TDP1ALDH1A1POLBHPGDSMN1; SMN2
SCHEMBL61417 0.78 TDP1 (1.00) TDP1ALDH1A1POLBHPGDSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6566546-B2 Reacting of phenylboronic acids with 4- bromo- or 4-iodo-alkyl- or -alkoxy-anilines or -anilides, possible deacylation and diazotization, followed by reaction with a nucleophile by sandmeyer reaction or a reducing agent CLARIANT GMBH (DE) 2003-05-20 US disclosed
US-20020115880-A1 PROCESS FOR PREPARING 4-SUBSTITUTED 2-ALKYLBIPHENYLS AND 2-ALKOXYLBIPHENYLS CLARIANT GMBH 2002-08-22 US disclosed
EP-1233009-A2 Method for production of 4-substituted 2-alkylbiphenyls and 2-alcoxybiphenyls Clariant GmbH (DE) 2002-08-21 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-20020115880-A1 PROCESS FOR PREPARING 4-SUBSTITUTED 2-ALKYLBIPHENYLS AND 2-ALKOXYLBIPHENYLS ARSA, ALKBH2, ALKBH1 TDP1 3780/4885ALDH1A1 540/4885POLB 865/4885

“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.