SCHEMBL12984473

SCHEMBL12984473

CCCCc1ccccc1C(=O)NC(CO)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CA2 P00918 4/20 0.43
▸ CA1 P00915 2/20 0.43
▸ CA12 O43570 1/20 0.43
▸ CA9 Q16790 1/20 0.43
▸ HTT P42858 2/20 0.42
▸ ITGB1 P05556 1/20 0.41
▸ ITGA4 P13612 1/20 0.41
▸ ITGB7 P26010 1/20 0.41
▸ TSHR P16473 2/20 0.41
▸ ICMT O60725 2/20 0.41
▸ FNTA P49354 1/20 0.40
▸ FNTB P49356 1/20 0.40
▸ CYP2C9 P11712 2/20 0.40
▸ PYGL P06737 1/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ ADRB2 P07550 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
SCHEMBL12984095 0.92 CA2 (0.45) CA2CA1CA12CA9HTT
SCHEMBL2323901 0.87 CA2 (0.41) CA2CA1CA12CA9HTT
SCHEMBL2323895 0.87 CA2 (0.41) CA2CA1CA12CA9HTT
SCHEMBL12984129 0.87 CA2 (0.46) CA2CA1CA12CA9HTT
SCHEMBL2329271 0.86 CA2 (0.46) CA2CA12CA9HTTFNTA
SCHEMBL2324674 0.84 ALDH1A1 (0.49) CA2CA1CA12CA9TSHR
SCHEMBL2324671 0.84 ALDH1A1 (0.49) CA2CA1CA12CA9TSHR
SCHEMBL2326565 0.84 CA12 (0.41) CA2CA12CA9HTTITGB1
SCHEMBL2326571 0.84 CA12 (0.41) CA2CA12CA9HTTITGB1
SCHEMBL2328069 0.83 CYSLTR2 (0.41) CA2CA12CA9PYGL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2514402-B1 PREVENTING OR AMELIORATING AGENT FOR PIGMENTATION POLA CHEM IND INC (JP) 2016-08-31 — — EP disclosed
US-9414998-B2 Preventing or ameliorating agent for pigmentation POLA CHEMICAL INDUSTRIES INC. (JP) 2016-08-16 — — US disclosed
US-20140322150-A1 PREVENTING OR AMELIORATING AGENT FOR PIGMENTATION POLA CHEMICAL INDUSTRIES INC. (JP) 2014-10-30 — — US disclosed
EP-2514402-A1 PROPHYLACTIC OR AMELIORATING AGENT FO PIGMENTATION Pola Chemical Industries Inc. (JP) 2012-10-24 — — EP disclosed
US-20120258063-A1 PREVENTING OR AMELIORATING AGENT FOR PIGMENTATION POLA CHEMICAL INDUSTRIES INC. (JP) 2012-10-11 — — 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-20140322150-A1 PREVENTING OR AMELIORATING AGENT FOR PIGMENTATION TYR, MC1R, MITF CA2 2099/4885CA1 4681/4885CA12 3200/4885
US-20120258063-A1 PREVENTING OR AMELIORATING AGENT FOR PIGMENTATION TYR, MC1R, MITF CA2 2099/4885CA1 4681/4885CA12 3200/4885

“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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