SCHEMBL16001626

SCHEMBL16001626

Cc1ccc2c(ccc3cc(PP)ccc32)c1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 7/20 0.46
▸ CYP2A6 P11509 6/20 0.46
▸ LMNA P02545 2/20 0.46
▸ ALDH1A1 P00352 2/20 0.46
▸ KDM4E B2RXH2 1/20 0.46
▸ GAA P10253 1/20 0.46
▸ HPGD P15428 1/20 0.46
▸ HSD17B10 Q99714 1/20 0.46
▸ TDP1 Q9NUW8 1/20 0.40
▸ NCK1 P16333 1/20 0.33
▸ BACE1 P56817 1/20 0.33
▸ CA12 O43570 3/20 0.32
▸ CA9 Q16790 3/20 0.32
▸ NQO2 P16083 1/20 0.32
▸ SIRT1 Q96EB6 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ RXFP1 Q9HBX9 1/20 0.32

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
SCHEMBL16001627 0.86 CYP1A2 (0.54) CYP1A2CYP2A6LMNAALDH1A1KDM4E
SCHEMBL607927 0.80 CYP1A2 (0.71) CYP1A2CYP2A6LMNAALDH1A1KDM4E
SCHEMBL597341 0.78 CYP1A2 (0.67) CYP1A2CYP2A6LMNAALDH1A1KDM4E
SCHEMBL598308 0.73 CYP1A2 (0.60) CYP1A2CYP2A6LMNAALDH1A1KDM4E
SCHEMBL16871332 0.73 MAOB (0.41) LMNAALDH1A1KDM4EGAAHPGD
SCHEMBL20809388 0.72 CYP1A2 (0.52) CYP1A2CYP2A6LMNAALDH1A1KDM4E
SCHEMBL12769101 0.72 CYP1A2 (0.52) CYP1A2CYP2A6LMNAALDH1A1KDM4E
SCHEMBL14924812 0.72 CYP1A2 (0.46) CYP1A2CYP2A6LMNAALDH1A1KDM4E
SCHEMBL9473298 0.72 CYP1A2 (0.65) CYP1A2CYP2A6LMNAALDH1A1KDM4E
SCHEMBL26330826 0.72 CYP1A2 (0.57) CYP1A2CYP2A6LMNAALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9493394-B2 Photoaligning materials ROLIC AG (CH) 2016-11-15 — — US disclosed
US-9334366-B2 Photoaligning materials ROLIC AG (CH) 2016-05-10 — — US disclosed
US-20140342086-A1 PHOTOALIGNING MATERIALS ROLIC AG (CH) 2014-11-20 — — US disclosed
US-20140249244-A1 PHOTOALIGNING MATERIALS ROLIC AG (CH) 2014-09-04 — — 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 (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-20140249244-A1 PHOTOALIGNING MATERIALS LCP1, PIN1, MAP1LC3C CYP1A2 3934/4885CYP2A6 4501/4885LMNA 796/4885

“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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