SCHEMBL13819786

SCHEMBL13819786

CCC(Cc1ccc(Br)cc1)Cc1ccc(I)cc1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.46
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43
APEX1 P27695 1/20 0.42
PMP22 Q01453 1/20 0.42
MME P08473 2/20 0.35
TAAR1 Q96RJ0 3/20 0.34
SIGMAR1 Q99720 3/20 0.34
SLC6A4 P31645 1/20 0.33
HTR2A P28223 1/20 0.33
ACACB O00763 1/20 0.33

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
SCHEMBL13819771 0.90 TAAR1 (0.40) APPCYP1A2CYP2D6MMETAAR1
SCHEMBL13819785 0.86 TAAR1 (0.40) APPCYP1A2CYP2D6MMETAAR1
SCHEMBL26565775 0.78 KMT2A (0.42) CYP1A2CYP2D6MMETAAR1SIGMAR1
SCHEMBL11570604 0.78 CYP1A2 (0.44) CYP1A2CYP2D6APEX1PMP22SIGMAR1
SCHEMBL1498212 0.76 CYP1A2 (0.42) CYP1A2CYP2D6SIGMAR1
SCHEMBL8142452 0.72 APP (0.57) APPTAAR1HTR2A
SCHEMBL13721762 0.72 EPHX2 (0.44) APPMME
SCHEMBL13918175 0.72 APP (0.67) APP
SCHEMBL13430004 0.72 MME (0.36) APPMMETAAR1SIGMAR1
SCHEMBL24568712 0.71 CYP1A2 (0.53) APPCYP1A2CYP2D6APEX1PMP22

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 2 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-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

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 APP 2060/4885CYP1A2 423/4885CYP2D6 1900/4885

“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.