SCHEMBL16001627

SCHEMBL16001627

Cc1ccc2cc3cc(PP)ccc3cc2c1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 6/20 0.54
▸ CYP2A6 P11509 5/20 0.54
▸ TDP1 Q9NUW8 1/20 0.46
▸ ALDH1A1 P00352 4/20 0.34
▸ NCK1 P16333 1/20 0.34
▸ BACE1 P56817 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ CA12 O43570 3/20 0.33
▸ CA9 Q16790 3/20 0.33
▸ MAPT P10636 1/20 0.32
▸ RXFP1 Q9HBX9 1/20 0.32
▸ PTPN1 P18031 1/20 0.32
▸ CCR1 P32246 1/20 0.30
▸ CCR5 P51681 1/20 0.30
▸ CCR8 P51685 1/20 0.30

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
SCHEMBL16001626 0.86 CYP1A2 (0.46) CYP1A2CYP2A6TDP1ALDH1A1NCK1
SCHEMBL4368477 0.79 CYP1A2 (0.87) CYP1A2CYP2A6TDP1ALDH1A1NCK1
SCHEMBL29837229 0.79 CYP1A2 (0.87) CYP1A2CYP2A6TDP1ALDH1A1NCK1
SCHEMBL6891197 0.79 CYP1A2 (0.87) CYP1A2CYP2A6TDP1ALDH1A1NCK1
SCHEMBL2490023 0.79 CYP1A2 (0.87) CYP1A2CYP2A6TDP1ALDH1A1NCK1
SCHEMBL31612403 0.79 CYP1A2 (0.87) CYP1A2CYP2A6TDP1ALDH1A1NCK1
SCHEMBL2463834 0.79 CYP1A2 (0.87) CYP1A2CYP2A6TDP1ALDH1A1NCK1
SCHEMBL6056946 0.79 CYP1A2 (0.87) CYP1A2CYP2A6TDP1ALDH1A1NCK1
SCHEMBL6888140 0.79 CYP1A2 (0.87) CYP1A2CYP2A6TDP1ALDH1A1NCK1
SCHEMBL9473298 0.78 CYP1A2 (0.65) CYP1A2CYP2A6TDP1ALDH1A1NCK1

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 4501/4885TDP1 2594/4885

“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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