SCHEMBL10195649

SCHEMBL10195649

CCOc1c(N)cc(C(=O)OCCCCCCOC(=O)/C=C/c2ccc(OC(=O)c3ccc(OCCCC(F)(F)F)cc3)cc2)cc1N

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP1A1 P04798 2/20 0.41
CYP1B1 Q16678 2/20 0.41
MAOB P27338 2/20 0.41
ABCG2 Q9UNQ0 4/20 0.39
ABCB1 P08183 2/20 0.39
ABCC1 P33527 2/20 0.39
ESR1 P03372 1/20 0.39
CA12 O43570 6/20 0.38
CA9 Q16790 6/20 0.38
APP P05067 3/20 0.38
ALDH1A1 P00352 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
SCHEMBL865841 0.95 ABCG2 (0.39) CYP1A1CYP1B1ABCG2ABCB1ABCC1
SCHEMBL865842 0.95 ABCG2 (0.39) CYP1A1CYP1B1ABCG2ABCB1ABCC1
SCHEMBL5019480 0.93 ABCG2 (0.38) CYP1A1CYP1B1ABCG2ABCB1ABCC1
SCHEMBL679419 0.93 ABCB1 (0.45) ABCG2ABCB1ABCC1CA12CA9
SCHEMBL14520605 0.91 ABCG2 (0.38) CYP1A1CYP1B1ABCG2ABCB1ABCC1
SCHEMBL18993092 0.91 ABCG2 (0.38) CYP1A1CYP1B1ABCG2ABCB1ABCC1
SCHEMBL15315058 0.90 CA12 (0.39) ABCG2ABCB1ABCC1ESR1CA12
SCHEMBL15362275 0.89 ESR1 (0.38) CYP1A1CYP1B1ABCG2ESR1CA12
SCHEMBL865816 0.88 CA12 (0.38) CYP1A1CYP1B1ABCG2ABCB1ABCC1
SCHEMBL864566 0.88 CA12 (0.38) CYP1A1CYP1B1ABCG2ABCB1ABCC1

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-8329823-B2 Photocrosslinkable materials ROLIC AG (CH) 2012-12-11 US disclosed
US-8329823-B2 Photocrosslinkable materials ROLIC AG (CH) 2012-12-11 US disclosed
US-20120076952-A1 PHOTOCROSSLINKABLE MATERIALS ROLIC AG (CH) 2012-03-29 US disclosed
US-20120076952-A1 PHOTOCROSSLINKABLE MATERIALS ROLIC AG (CH) 2012-03-29 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-20120076952-A1 PHOTOCROSSLINKABLE MATERIALS DDC, PARG, ALAD CYP1A1 3056/4885CYP1B1 2893/4885MAOB 286/4885

“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.