SCHEMBL10195647

SCHEMBL10195647

CCCCCCOC(=O)/C=C/c1ccc(OC(=O)c2ccc(OCCCC(F)(F)F)cc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.52
LMNA P02545 3/20 0.52
NFKB1 P19838 3/20 0.52
NFKB2 Q00653 3/20 0.52
RELA Q04206 3/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
ABCG2 Q9UNQ0 2/20 0.51
APP P05067 5/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
ESR1 P03372 1/20 0.49
CYP1A1 P04798 1/20 0.47
CYP1B1 Q16678 1/20 0.47
MAPT P10636 3/20 0.46
MEN1 O00255 1/20 0.46
ALDH1A1 P00352 1/20 0.46
HPGD P15428 1/20 0.46

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
SCHEMBL679343 1.00 NPC1 (0.52) NPC1LMNANFKB1NFKB2RELA
SCHEMBL22171107 0.97 ABCG2 (0.54) NPC1LMNANFKB1NFKB2RELA
SCHEMBL19193810 0.93 CYP1A1 (0.53) NPC1LMNANFKB1NFKB2RELA
SCHEMBL19193677 0.92 ABCG2 (0.43) NPC1LMNANFKB1NFKB2RELA
SCHEMBL15362246 0.92 ABCG2 (0.43) NPC1LMNANFKB1NFKB2RELA
SCHEMBL15315057 0.92 KDM4E (0.46) NPC1LMNANFKB1NFKB2RELA
SCHEMBL19193813 0.91 ABCG2 (0.44) NPC1LMNANFKB1NFKB2RELA
SCHEMBL17014955 0.90 CA12 (0.51) ABCG2CYP3A4ESR1CYP1A1CYP1B1
SCHEMBL3633038 0.89 ABCG2 (0.42) NPC1LMNASMN1; SMN2ABCG2CYP1A2
SCHEMBL19193697 0.89 ABCG2 (0.44) LMNASMN1; SMN2ABCG2APPESR1

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 NPC1 4864/4885LMNA 2057/4885NFKB1 3202/4885

“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.