SCHEMBL3767602

SCHEMBL3767602

Nc1ccc(CCCCc2ccccc2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAOB P27338 5/20 1.00
MAOA P21397 4/20 0.81
HTR2A P28223 2/20 0.67
GFER P55789 1/20 0.62
SIGMAR1 Q99720 2/20 0.61
CYP2A6 P11509 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
TAAR1 Q96RJ0 1/20 0.56
LOXL2 Q9Y4K0 1/20 0.56
CYP19A1 P11511 1/20 0.56
NPC1 O15118 1/20 0.55
RAB9A P51151 1/20 0.55
CYP2D6 P10635 1/20 0.53
IDO1 P14902 1/20 0.52
IGF1R P08069 1/20 0.52
ALOX15 P16050 1/20 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
SCHEMBL1164263 0.98 MAOB (0.95) MAOBMAOAHTR2AGFERSIGMAR1
SCHEMBL10678830 0.98 MAOB (0.95) MAOBMAOAHTR2AGFERSIGMAR1
SCHEMBL1164083 0.98 MAOB (0.95) MAOBMAOAHTR2AGFERSIGMAR1
SCHEMBL9798973 0.95 MAOB (0.91) MAOBMAOAHTR2AGFERSIGMAR1
SCHEMBL4082319 0.90 MAOB (1.00) MAOBMAOAHTR2AGFERSIGMAR1
SCHEMBL3111509 0.89 MAOB (0.80) MAOBMAOAHTR2AGFERSIGMAR1
Hydrochloric Acid SCHEMBL8746114 0.87 MAOB (1.00) MAOBMAOAHTR2AGFERSIGMAR1
SCHEMBL4016540 0.87 MAOB (0.76) MAOBMAOAHTR2AGFERSIGMAR1
SCHEMBL12110816 0.87 MAOB (0.76) MAOBMAOAHTR2AGFERSIGMAR1
SCHEMBL4022346 0.87 MAOB (0.76) MAOBMAOAHTR2AGFERSIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120190868-A1 SUBSTITUTED BENZOCHALCOGENOACENE COMPOUND, THIN FILM COMPRISING THE COMPOUND, AND ORGANIC SEMICONDUCTOR DEVICE INCLUDING THE THIN FILM NATIONAL UNIVERSITY CORPORATION NAGOYA UNIVERSITY (JP) 2012-07-26 US disclosed
EP-2452942-A1 SUBSTITUTED BENZOCHALCOGENOACENE COMPOUND, THIN FILM COMPRISING THE COMPOUND, AND ORGANIC SEMICONDUCTOR DEVICE INCLUDING THE THIN FILM Sumitomo Chemical Company, Limited (JP) 2012-05-16 EP disclosed
US-5015762-A Alkoxy substituted ureas as herbicides BASF AKTIENGESELLSCHAFT (DE) 1991-05-14 US disclosed
EP-0041145-B1 ARALKYL-PHENYL UREAS AND THEIR HERBICIDAL COMPOSITIONS BASF Aktiengesellschaft (DE) 1984-12-19 EP disclosed
US-4422871-A Aralkylphenylureas and herbicides containing these BASF AKTIENGESELLSCHAFT (DE) 1983-12-27 US disclosed
EP-0041145-A2 Aralkyl-phenyl ureas and their herbicidal compositions BASF Aktiengesellschaft (DE) 1981-12-09 EP 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-20120190868-A1 SUBSTITUTED BENZOCHALCOGENOACENE COMPOUND, THIN FILM COMPRISING THE COMPOUND, AND ORGANIC SEMICONDUCTOR DEVICE INCLUDING THE THIN FILM EBPL, SAAL1, APOL1 MAOB 1398/4885MAOA 962/4885HTR2A 2932/4885

“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.