SCHEMBL15085355

SCHEMBL15085355

CCCCOc1ccc2c(c1)C=CC2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 5/20 0.40
CA12 O43570 2/20 0.39
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
CA7 P43166 2/20 0.39
CA9 Q16790 2/20 0.39
CA3 P07451 1/20 0.39
CA4 P22748 1/20 0.39
CA6 P23280 1/20 0.39
CA14 Q9ULX7 1/20 0.39
CA5B Q9Y2D0 1/20 0.39
NR5A1 Q13285 1/20 0.39
TSHR P16473 2/20 0.38
MEN1 O00255 1/20 0.38
NPC1 O15118 1/20 0.38
ALDH1A1 P00352 1/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
RAB9A P51151 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
SCHEMBL27798715 0.95 NR5A1 (0.46) LTA4HNR5A1TSHRNPC1RAB9A
SCHEMBL18643898 0.81 NR5A1 (0.41) LTA4HNR5A1TSHRNPC1RAB9A
SCHEMBL4173550 0.80 FYN (0.32)
SCHEMBL27936893 0.76 CA12 (0.39) LTA4HCA12CA1CA2CA7
SCHEMBL4170482 0.75
SCHEMBL27640994 0.75 MEN1 (0.41) CA12CA1CA2CA7CA9
SCHEMBL15069704 0.74 ALOX5 (0.51) CA12CA1CA2CA9
SCHEMBL21860163 0.73 NQO1 (0.42) LTA4HCA12CA1CA7CA9
SCHEMBL26625543 0.73 ACHE (0.46) MEN1NPC1ALDH1A1GAAMAPT
SCHEMBL10071518 0.73 HRH3 (0.55) CA12CA1CA2CA7CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3124472-A1 FUSED TRICYCLIC COMPOUNDS AS RAF KINASE INHIBITORS BeiGene, Ltd. (KY) 2017-02-01 EP disclosed
US-20160206621-A1 FUSED TRICYCLIC COMPOUNDS AS RAF KINASE INHIBITORS BEONE MEDICINES I GMBH (CH) 2016-07-21 US disclosed
EP-2797888-B1 FUSED TRICYCLIC COMPOUNDS AS RAF KINASE INHIBITORS BEIGENE LTD (KY) 2016-06-08 EP disclosed
US-9273046-B2 Fused tricyclic compounds as Raf kinase inhibitors BEIGENE, LTD. (KY) 2016-03-01 US disclosed
US-20150045355-A1 FUSED TRICYCLIC COMPOUNDS AS RAF KINASE INHIBITORS BEONE MEDICINES I GMBH (CH) 2015-02-12 US disclosed
WO-2013185207-A1 FULLERENES WITH SUBSTITUTED INDENE-BASED GROUPS NATIONAL RESEARCH COUNCIL OF CANADA (CA) 2013-12-19 WO disclosed
WO-2013097224-A1 FUSED TRICYCLIC COMPOUNDS AS RAF KINASE INHIBITORS BEIGENE, LTD. (KY) 2013-07-04 WO 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 (2 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-20160206621-A1 FUSED TRICYCLIC COMPOUNDS AS RAF KINASE INHIBITORS BRAF, RAF1, ARAF LTA4H 3714/4885CA12 3764/4885CA1 3462/4885
US-20150045355-A1 FUSED TRICYCLIC COMPOUNDS AS RAF KINASE INHIBITORS BRAF, RAF1, ARAF LTA4H 3714/4885CA12 3764/4885CA1 3462/4885

“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.