SCHEMBL9066103

SCHEMBL9066103

[CH2]C(OC)c1cccc2ccccc12

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.52
CYP1A2 P05177 2/20 0.52
CYP2C9 P11712 1/20 0.52
CYP2C19 P33261 1/20 0.52
AOC3 Q16853 1/20 0.51
ADRA2A P08913 5/20 0.47
ADRA2B P18089 5/20 0.47
ADRA2C P18825 5/20 0.47
CYP2A6 P11509 3/20 0.41
SLC6A4 P31645 2/20 0.41
ADRA1A P35348 2/20 0.40
ADRA1D P25100 1/20 0.40
ADRA1B P35368 1/20 0.40
MAPT P10636 1/20 0.39
TSHR P16473 1/20 0.39
HSD17B10 Q99714 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL28256069 0.82 NQO1 (0.42) ALDH1A1CYP1A2CYP2C9CYP2C19AOC3
SCHEMBL10795812 0.81 ALDH1A1 (0.46) ALDH1A1CYP1A2CYP2C9CYP2C19AOC3
SCHEMBL16974437 0.81 ADRA2A (0.61) ALDH1A1CYP1A2CYP2C9CYP2C19AOC3
SCHEMBL2524557 0.81 ALDH1A1 (0.54) ALDH1A1CYP1A2CYP2C9CYP2C19AOC3
SCHEMBL31127390 0.81 ALDH1A1 (0.54) ALDH1A1CYP1A2CYP2C9CYP2C19AOC3
SCHEMBL3255966 0.80 ALDH1A1 (0.62) ALDH1A1CYP1A2CYP2C9CYP2C19AOC3
SCHEMBL10416031 0.79 ALDH1A1 (0.52) ALDH1A1CYP1A2CYP2C9CYP2C19AOC3
SCHEMBL264358 0.78 ALDH1A1 (0.56) ALDH1A1CYP1A2CYP2C9CYP2C19AOC3
SCHEMBL5609867 0.78 ALDH1A1 (0.50) ALDH1A1CYP1A2CYP2C9CYP2C19AOC3
SCHEMBL20957507 0.78 ALDH1A1 (0.61) ALDH1A1CYP1A2CYP2C9CYP2C19AOC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2524686-B1 PIGMENTATION-PREVENTING OR -AMELIORATING AGENT POLA CHEM IND INC (JP) 2017-06-21 EP disclosed
US-9066914-B2 Prophylactic or ameliorating agent for pigmentation POLA CHEMICAL INDUSTRIES INC. (JP) 2015-06-30 US disclosed
EP-2524686-A1 PIGMENTATION-PREVENTING OR -AMELIORATING AGENT Pola Chemical Industries Inc. (JP) 2012-11-21 EP disclosed
US-20120282203-A1 PROPHYLACTIC OR AMELIORATING AGENT FOR PIGMENTATION POLA CHEMICAL INDUSTRIES INC. (JP) 2012-11-08 US disclosed
CN-1142932-C N,N-dimethyl-1-t-butoxycarbonyl-4-phenylpiperidine-4-carboxamide ������������ʽ���� 2004-03-24 CN disclosed
EP-0441383-B1 Use of a copolymer for the making of contact lenses MITSUBISHI RAYON CO (JP) 1996-05-08 EP disclosed
US-5183870-A A curable polybutylene glycol di(meth)acrylate, a urethane or epoxy (meth)acrylate and a (meth)acrylate; heat and water resistance; impact strength; dyeability; workability MITSUBISHI RAYON CO., LTD (JP) 1993-02-02 US disclosed
EP-0441383-A2 Use of a copolymer for the making of contact lenses MITSUBISHI RAYON CO., LTD. (JP) 1991-08-14 EP 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 (1 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-20120282203-A1 PROPHYLACTIC OR AMELIORATING AGENT FOR PIGMENTATION TYR, MC1R, NQO1 ALDH1A1 136/4885CYP1A2 1165/4885CYP2C9 2978/4885

“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.