SCHEMBL18241903

SCHEMBL18241903

CCCCc1ccc(C(C)(C)[O])cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA2 P00918 2/20 0.52
▸ CA1 P00915 1/20 0.52
▸ ALDH1A1 P00352 3/20 0.50
▸ HPGD P15428 2/20 0.50
▸ HSD17B10 Q99714 2/20 0.50
▸ PLK1 P53350 1/20 0.50
▸ SMN1; SMN2 Q16637 1/20 0.48
▸ NPC1 O15118 1/20 0.47
▸ RAB9A P51151 1/20 0.47
▸ RARB P10826 1/20 0.46
▸ LPL P06858 4/20 0.46
▸ LIPG Q9Y5X9 4/20 0.46
▸ THRA P10827 1/20 0.44
▸ THRB P10828 1/20 0.44
▸ TRPV1 Q8NER1 2/20 0.44
▸ MGLL Q99685 1/20 0.44
▸ ESR1 P03372 2/20 0.44
▸ ADRA2A P08913 2/20 0.44
▸ ADORA3 P0DMS8 2/20 0.44
▸ TACR2 P21452 2/20 0.44

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
SCHEMBL18244062 0.87 LPL (0.48) CA2ALDH1A1PLK1LPLLIPG
SCHEMBL547838 0.83 KCNH2 (0.60) CA2CA1ALDH1A1HPGDHSD17B10
SCHEMBL20956952 0.83 CA2 (0.50) CA2CA1ALDH1A1HPGDHSD17B10
SCHEMBL5073453 0.80 PLK1 (0.51) CA2CA1ALDH1A1HPGDHSD17B10
SCHEMBL18594451 0.79 CA2 (0.47) CA2CA1ALDH1A1HPGDHSD17B10
SCHEMBL18911119 0.79 CA2 (0.52) CA2CA1ALDH1A1HPGDHSD17B10
SCHEMBL21322216 0.79 CA2 (0.47) CA2CA1ALDH1A1HPGDHSD17B10
SCHEMBL83869 0.79 CA2 (0.65) CA2CA1ALDH1A1HPGDHSD17B10
SCHEMBL3921598 0.78 HTR2A (0.52) CA2CA1ALDH1A1HPGDHSD17B10
SCHEMBL18242706 0.78 LPL (0.44) CA2ALDH1A1HPGDPLK1SMN1; 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 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 CA2 173/4885CA1 719/4885ALDH1A1 151/4885
US-20160342084-A1 ACID- AND RADICAL-GENERATING AGENT AND METHOD FOR GENERATING ACID AND RADICAL CBR1, HAO2, CBR3 CA2 173/4885CA1 719/4885ALDH1A1 151/4885

“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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