SCHEMBL12459110

SCHEMBL12459110

CC(=O)C(Cc1ccc(Br)cc1)Cc1ccc(Br)cc1

nearest known ligand 0.59

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MME P08473 11/20 0.53
ACACB O00763 1/20 0.49
POLB P06746 1/20 0.48
MEN1 O00255 1/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
KMT2A Q03164 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
SCHEMBL1867578 0.83 ACACB (0.49) MMEACACBPOLBMEN1NPC1
SCHEMBL14559931 0.82 SLC7A5 (0.48) MMEACACBMEN1KMT2A
SCHEMBL19369764 0.82 ACACB (0.47) MMEACACBMEN1NPC1RAB9A
SCHEMBL22235331 0.82 KMT2A (0.53) MMEACACBMEN1NPC1RAB9A
SCHEMBL3634087 0.82 ACACB (0.47) MMEACACBMEN1NPC1RAB9A
SCHEMBL14355742 0.82 SLC7A5 (0.48) MMEACACBMEN1KMT2A
SCHEMBL17892867 0.79 TRPA1 (0.50) KMT2A
SCHEMBL1114648 0.79 MME (0.61) MME
SCHEMBL497369 0.78 CYP1A2 (0.68) MMENPC1RAB9A
SCHEMBL24329157 0.77 ACACB (0.48) MMEACACBMEN1NPC1RAB9A

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
US-9051246-B2 Compound having trimethylene structure, polymer compound containing unit that has trimethylene structure, and reactive compound having trimethylene structure HITACHI CHEMICAL COMPANY, LTD. (JP) 2015-06-09 US disclosed
US-9051246-B2 Compound having trimethylene structure, polymer compound containing unit that has trimethylene structure, and reactive compound having trimethylene structure HITACHI CHEMICAL COMPANY, LTD. (JP) 2015-06-09 US disclosed
US-9051246-B2 Compound having trimethylene structure, polymer compound containing unit that has trimethylene structure, and reactive compound having trimethylene structure HITACHI CHEMICAL COMPANY, LTD. (JP) 2015-06-09 US disclosed
US-20120289674-A1 COMPOUND HAVING TRIMETHYLENE STRUCTURE, POLYMER COMPOUND CONTAINING UNIT THAT HAS TRIMETHYLENE STRUCTURE, AND REACTIVE COMPOUND HAVING TRIMETHYLENE STRUCTURE KANAGAWA UNIVERSITY (JP) 2012-11-15 US disclosed
US-20120289674-A1 COMPOUND HAVING TRIMETHYLENE STRUCTURE, POLYMER COMPOUND CONTAINING UNIT THAT HAS TRIMETHYLENE STRUCTURE, AND REACTIVE COMPOUND HAVING TRIMETHYLENE STRUCTURE KANAGAWA UNIVERSITY (JP) 2012-11-15 US disclosed
US-20120289674-A1 COMPOUND HAVING TRIMETHYLENE STRUCTURE, POLYMER COMPOUND CONTAINING UNIT THAT HAS TRIMETHYLENE STRUCTURE, AND REACTIVE COMPOUND HAVING TRIMETHYLENE STRUCTURE KANAGAWA UNIVERSITY (JP) 2012-11-15 US disclosed
WO-2011093463-A1 COMPOUND HAVING TRIMETHYLENE STRUCTURE, POLYMER COMPOUND CONTAINING UNIT THAT HAS TRIMETHYLENE STRUCTURE, AND REACTIVE COMPOUND HAVING TRIMETHYLENE STRUCTURE 日立化成工業株式会社 (JP) 2011-08-04 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 (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-20120289674-A1 COMPOUND HAVING TRIMETHYLENE STRUCTURE, POLYMER COMPOUND CONTAINING UNIT THAT HAS TRIMETHYLENE STRUCTURE, AND REACTIVE COMPOUND HAVING TRIMETHYLENE STRUCTURE SUV39H2, SUV39H1, EZH1 MME 4599/4885ACACB 2779/4885POLB 3060/4885

“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.