SCHEMBL18378609

SCHEMBL18378609

CCCc1cccc2cccc([O])c12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ELANE P08246 1/20 0.44
▸ HTR2A P28223 4/20 0.40
▸ DAO P14920 1/20 0.36
▸ GABRA1 P14867 4/20 0.35
▸ GABRB2 P47870 4/20 0.35
▸ CYP1B1 Q16678 2/20 0.35
▸ GRM5 P41594 1/20 0.34
▸ ALDH1A1 P00352 3/20 0.34
▸ KDM4E B2RXH2 2/20 0.34
▸ HPGD P15428 2/20 0.34
▸ HSD17B10 Q99714 2/20 0.33
▸ TDP1 Q9NUW8 2/20 0.33
▸ PRKCI P41743 1/20 0.33
▸ GPR84 Q9NQS5 1/20 0.33
▸ CYP1A1 P04798 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ MTNR1A P48039 2/20 0.33
▸ MTNR1B P49286 1/20 0.33

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
SCHEMBL18378266 0.89 TLR8 (0.39) ELANEHTR2ATDP1CYP3A4
SCHEMBL18244315 0.85 GABRA1 (0.44) ELANEHTR2ADAOGABRA1GABRB2
SCHEMBL7823035 0.78 HTR2A (0.41) ELANEHTR2ACYP1B1GRM5ALDH1A1
SCHEMBL186669 0.76 GABRA1 (0.37) ELANEDAOGABRA1GABRB2ALDH1A1
SCHEMBL23043189 0.76 HTR2A (0.40) ELANEHTR2AGABRA1GABRB2CYP1B1
SCHEMBL7823031 0.76 HTR2A (0.40) ELANEHTR2ADAOGABRA1GABRB2
SCHEMBL31733104 0.76 HTR2A (0.40) ELANEHTR2AGABRA1GABRB2CYP1B1
SCHEMBL31733100 0.76 HTR2A (0.44) ELANEHTR2ADAOGABRA1GABRB2
SCHEMBL1005994 0.75 GABRA1 (0.38) ELANEDAOGABRA1GABRB2GRM5
SCHEMBL5545176 0.73 GABRA1 (0.37) ELANEDAOGABRA1GABRB2ALDH1A1

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-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
CN-105764885-B The production method of acid and free-radical generating agent and acid and free radical 富士胶片和光纯药株式会社 2018-11-09 — — CN 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 ELANE 1630/4885HTR2A 2430/4885DAO 24/4885
US-20160342084-A1 ACID- AND RADICAL-GENERATING AGENT AND METHOD FOR GENERATING ACID AND RADICAL CBR1, HAO2, CBR3 ELANE 1630/4885HTR2A 2430/4885DAO 24/4885

“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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