SCHEMBL18242803

SCHEMBL18242803

CCC([O])c1c(Br)cccc1Br

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ GABRA1 P14867 2/20 0.41
▸ GABRB2 P47870 2/20 0.41
▸ PDE7A Q13946 2/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ RECQL P46063 1/20 0.33
▸ GRM2 Q14416 3/20 0.32
▸ CA12 O43570 2/20 0.32
▸ CA9 Q16790 2/20 0.32
▸ PLCG1 P19174 1/20 0.31
▸ CYP1B1 Q16678 1/20 0.31
▸ TSHR P16473 1/20 0.31
▸ MAOA P21397 1/20 0.31
▸ MAOB P27338 1/20 0.31
▸ F2R P25116 1/20 0.30
▸ KMT2A Q03164 1/20 0.30
▸ CA1 P00915 1/20 0.30
▸ CA2 P00918 1/20 0.30
▸ HTT P42858 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
SCHEMBL18377963 0.82 GABRA1 (0.38) GABRA1GABRB2PDE7AALDH1A1RECQL
SCHEMBL20032135 0.78 GABRA1 (0.37) GABRA1GABRB2PDE7AALDH1A1RECQL
SCHEMBL18243012 0.76 CA1 (0.40) GABRA1GABRB2ALDH1A1CA9TSHR
SCHEMBL18242436 0.76 GABRA1 (0.52) GABRA1GABRB2ALDH1A1HTT
SCHEMBL18242245 0.76 CYP3A4 (0.35) GABRA1GABRB2CA9TSHRMAOA
SCHEMBL18713549 0.76 TSHR (0.40) GABRA1GABRB2ALDH1A1RECQLGRM2
SCHEMBL4441634 0.74 HTT (0.43) GABRA1GABRB2ALDH1A1PLCG1TSHR
SCHEMBL18242187 0.74 TAS1R3 (0.40) GABRA1GABRB2ALDH1A1TSHRKMT2A
SCHEMBL18242809 0.74 GABRA1 (0.34) GABRA1GABRB2
SCHEMBL18243094 0.74 CES2 (0.39) GABRA1GABRB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10451967-B2 Acid- and radical-generating agent and method for generating acid and radical FUJIFILM WAKO PURE CHEMICAL CORPORATION (JP) 2019-10-22 — — US disclosed
US-20160342084-A1 ACID- AND RADICAL-GENERATING AGENT AND METHOD FOR GENERATING ACID AND RADICAL FUJIFILM WAKO PURE CHEMICAL CORPORATION (JP) 2016-11-24 — — 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-10451967-B2 Acid- and radical-generating agent and method for generating acid and radical CBR1, HAO2, CBR3 GABRA1 924/4885GABRB2 2041/4885PDE7A 1733/4885
US-20160342084-A1 ACID- AND RADICAL-GENERATING AGENT AND METHOD FOR GENERATING ACID AND RADICAL CBR1, HAO2, CBR3 GABRA1 924/4885GABRB2 2041/4885PDE7A 1733/4885

“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.

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