SCHEMBL811081

SCHEMBL811081

CCCCCCn1ccc(Br)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 7/20 0.55
RAB9A P51151 7/20 0.55
HTT P42858 6/20 0.55
LMNA P02545 4/20 0.55
MAPK1 P28482 3/20 0.55
NPSR1 Q6W5P4 3/20 0.55
SMN1; SMN2 Q16637 3/20 0.55
HSP90AA1 P07900 3/20 0.55
GALR3 O60755 2/20 0.55
POLB P06746 2/20 0.55
ATM Q13315 2/20 0.55
APOBEC3A P31941 2/20 0.55
APOBEC3G Q9HC16 2/20 0.55
MAPT P10636 2/20 0.55
KDM4E B2RXH2 1/20 0.55
RAD52 P43351 1/20 0.55
PAX8 Q06710 1/20 0.55
NR2F2 P24468 1/20 0.55
NOD2 Q9HC29 1/20 0.55
ALDH1A1 P00352 3/20 0.52

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
SCHEMBL28249044 0.78 NPC1 (0.56) NPC1RAB9AHTTLMNAMAPK1
SCHEMBL27926693 0.78 NPC1 (0.56) NPC1RAB9AHTTLMNAMAPK1
Fluoride SCHEMBL30330907 0.77 NPC1 (0.55) NPC1RAB9AHTTLMNAMAPK1
Hydrochloric Acid SCHEMBL30330700 0.77 NPC1 (0.55) NPC1RAB9AHTTLMNAMAPK1
Fluoride SCHEMBL30330170 0.77 NPC1 (0.55) NPC1RAB9AHTTLMNAMAPK1
SCHEMBL23839671 0.77 NPC1 (0.55) NPC1RAB9AHTTLMNAMAPK1
Hydrochloric Acid SCHEMBL30330472 0.77 NPC1 (0.55) NPC1RAB9AHTTLMNAMAPK1
Hydrochloric Acid SCHEMBL30330477 0.77 NPC1 (0.55) NPC1RAB9AHTTLMNAMAPK1
SCHEMBL811887 0.77 NPC1 (0.55) NPC1RAB9AHTTLMNAMAPK1
Hydrochloric Acid SCHEMBL30330486 0.77 NPC1 (0.55) NPC1RAB9AHTTLMNAMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2390241-B1 METHOD FOR MANUFACTURING CONJUGATED AROMATIC COMPOUND SUMITOMO CHEMICAL CO (JP) 2014-10-01 EP disclosed
US-8598349-B2 Method for manufacturing conjugated aromatic compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-12-03 US disclosed
EP-2390241-A1 METHOD FOR MANUFACTURING CONJUGATED AROMATIC COMPOUND Sumitomo Chemical Company, Limited (JP) 2011-11-30 EP disclosed
US-20110275859-A1 METHOD FOR MANUFACTURING CONJUGATED AROMATIC COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED 2011-11-10 US disclosed
US-20110256790-A1 THERMAL INSULATION CONTAINING SUPPLEMENTAL INFRARED RADIATION ABSORBING MATERIAL SAINT-GOBAIN ISOVER (FR) 2011-10-20 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-20110275859-A1 METHOD FOR MANUFACTURING CONJUGATED AROMATIC COMPOUND C9, H1-10, CYP1A1 NPC1 552/4885RAB9A 310/4885HTT 1768/4885

“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.