SCHEMBL18242000

SCHEMBL18242000

CCc1ccc(CCC[O])cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TAAR1 Q96RJ0 1/20 0.52
▸ ALDH1A1 P00352 4/20 0.43
▸ HSD17B10 Q99714 2/20 0.42
▸ HPGD P15428 1/20 0.42
▸ TP53 P04637 2/20 0.42
▸ CA2 P00918 4/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ ESR1 P03372 2/20 0.40
▸ ADRA2A P08913 2/20 0.40
▸ ADORA3 P0DMS8 2/20 0.40
▸ TACR2 P21452 2/20 0.40
▸ SLC6A2 P23975 2/20 0.40
▸ SLC6A4 P31645 2/20 0.40
▸ SLC6A3 Q01959 2/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ SHBG P04278 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ HSPD1 P10809 1/20 0.40
▸ ADRB3 P13945 1/20 0.40

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
SCHEMBL18242675 0.93 TAAR1 (0.50) TAAR1ALDH1A1HSD17B10HPGDTP53
SCHEMBL9027693 0.91 TAAR1 (0.48) TAAR1ALDH1A1HSD17B10TP53ESR1
SCHEMBL3031496 0.85 ALDH1A1 (0.57) ALDH1A1HSD17B10HPGDTP53CA2
SCHEMBL18378113 0.85 CA2 (0.48) ALDH1A1HSD17B10HPGDTP53CA2
SCHEMBL6271714 0.84 TAAR1 (0.56) TAAR1ALDH1A1TP53CA2SMN1; SMN2
SCHEMBL10575050 0.84 TAAR1 (0.62) TAAR1ALDH1A1HSD17B10TP53CA2
SCHEMBL10571221 0.81 TAAR1 (0.59) TAAR1ALDH1A1HSD17B10TP53ESR1
SCHEMBL18856963 0.80 TAAR1 (0.52) TAAR1ALDH1A1HSD17B10HPGDTP53
SCHEMBL5609711 0.80 CYP1A2 (0.52) TAAR1ALDH1A1CYP3A4ACHECYP2A6
SCHEMBL329514 0.79 CA2 (0.58) TAAR1ALDH1A1HSD17B10HPGDTP53

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 TAAR1 1102/4885ALDH1A1 151/4885HSD17B10 339/4885
US-20160342084-A1 ACID- AND RADICAL-GENERATING AGENT AND METHOD FOR GENERATING ACID AND RADICAL CBR1, HAO2, CBR3 TAAR1 1102/4885ALDH1A1 151/4885HSD17B10 339/4885

“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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