SCHEMBL583922

SCHEMBL583922

Cc1ccc(C(C)(C)Br)c(C)c1C

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.33
ATM Q13315 1/20 0.33
CYP1A2 P05177 2/20 0.31
TSHR P16473 2/20 0.31
CYP2A6 P11509 1/20 0.31
TDP2 O95551 1/20 0.31
NSD2 O96028 1/20 0.31
HSP90AA1 P07900 1/20 0.31
PAX8 Q06710 1/20 0.31
MEN1 O00255 1/20 0.30
PKM P14618 1/20 0.30
CYP2C19 P33261 1/20 0.30
KMT2A Q03164 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
SCHEMBL11434393 0.81 GABRA1 (0.39) TRPA1ATMCYP1A2TSHRCYP2A6
SCHEMBL2652817 0.79 TDP2 (0.36) TRPA1ATMCYP1A2TSHRCYP2A6
SCHEMBL6060786 0.77 POLB (0.32) TRPA1ATMCYP1A2TSHRCYP2A6
SCHEMBL2917414 0.77 TRPA1 (0.32) TRPA1ATMCYP1A2TSHRCYP2A6
SCHEMBL15657373 0.77 TRPA1 (0.32) TRPA1ATMCYP1A2TSHRCYP2A6
SCHEMBL18535707 0.77 TRPA1 (0.37) TRPA1ATMCYP1A2TSHRCYP2A6
SCHEMBL2424548 0.77 TRPA1 (0.37) TRPA1ATMCYP1A2TSHRCYP2A6
SCHEMBL10885410 0.77 TRPA1 (0.48) TRPA1ATMCYP1A2TSHRCYP2A6
SCHEMBL10800866 0.74 AR (0.33) TRPA1ATMCYP1A2TSHRCYP2A6
SCHEMBL1360849 0.74 TRPA1 (0.39) TRPA1ATMCYP1A2TSHRCYP2A6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2417143-B1 SYNTHESIS OF 2'-O-FUCOSYLLACTOSE GLYCOM AS (DK) 2016-12-21 EP disclosed
US-9012625-B2 Method for the synthesis of a trisaccharide GLYCOM A/S (DK) 2015-04-21 US disclosed
US-20130131334-A1 METHOD FOR THE SYNTHESIS OF A TRISACCHARIDE Glycom A/S Danmarks Tekniske Universitet (DK) 2013-05-23 US disclosed
EP-2417143-A1 SYNTHESIS OF 2'-O-FUCOSYLLACTOSE Glycom A/S (DK) 2012-02-15 EP disclosed
WO-2010115934-A1 SYNTHESIS OF 2'-O-FUCOSYLLACTOSE GLYCOM A/S (DK) 2010-10-14 WO disclosed
EP-0009787-B2 PROCESS FOR THE MONOHALOGENATION OF ALKYLBENZENES IN ALPHA POSITION BAYER AG (DE) 1986-07-09 EP disclosed
US-4331821-A ULTRAVIOLET RADIATION OF A VAPORIZED ALKYLBENZEN AND HALOGEN GAS MIXTURE BAYER AKTIENGESELLSCHAFT (DE) 1982-05-25 US disclosed
EP-0009787-B1 PROCESS FOR THE MONOHALOGENATION OF ALKYLBENZENES IN ALPHA POSITION BAYER AG (DE) 1982-01-13 EP disclosed
EP-0009787-A2 Process for the monohalogenation of alkylbenzenes in alpha position BAYER AG (DE) 1980-04-16 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-20130131334-A1 METHOD FOR THE SYNTHESIS OF A TRISACCHARIDE UGGT1, FUT6, MAN1B1 TRPA1 4868/4885ATM 3447/4885CYP1A2 817/4885

“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.