SCHEMBL9950489

SCHEMBL9950489

O=Cc1cccc(CC2CCCCC2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 4/20 0.41
MAOB P27338 4/20 0.41
ALDH1A1 P00352 3/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 1/20 0.39
PLAU P00749 1/20 0.38
DRD2 P14416 1/20 0.38
DRD1 P21728 1/20 0.38
DRD4 P21917 1/20 0.38
DRD5 P21918 1/20 0.38
DRD3 P35462 1/20 0.38
PPM1D O15297 1/20 0.38
LMNA P02545 2/20 0.38
EED O75530 1/20 0.38
GAA P10253 1/20 0.38
TLR4 O00206 1/20 0.37
TLR2 O60603 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
EPHX2 P34913 1/20 0.37

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
SCHEMBL24512658 0.97 MAOA (0.42) MAOAMAOBALDH1A1NPC1RAB9A
SCHEMBL9949704 0.84 DAO (0.41) MAOAMAOBEPHX2OPRM1OPRD1
SCHEMBL17982844 0.84 LMNA (0.39) MAOAMAOBALDH1A1DRD2DRD1
SCHEMBL9950024 0.84 MAOA (0.39) MAOAMAOBALDH1A1NPC1RAB9A
SCHEMBL9950065 0.84 DRD2 (0.39) MAOAMAOBALDH1A1NPC1RAB9A
Ethylene SCHEMBL9949856 0.83 DRD2 (0.34) MAOAMAOBALDH1A1NPC1RAB9A
SCHEMBL9950222 0.83 EED (0.39) MAOAMAOBALDH1A1NPC1RAB9A
SCHEMBL9950299 0.83 DRD2 (0.40) MAOAMAOBALDH1A1NPC1RAB9A
SCHEMBL9950109 0.81 DRD2 (0.40) MAOAMAOBALDH1A1NPC1RAB9A
SCHEMBL17982816 0.81 TAF1 (0.46) ALDH1A1DRD2DRD1DRD4DRD5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3055293-B1 DIARYLALKYLAMINE REV-ERB ANTAGONISTS AND THEIR USE AS MEDICAMENTS FOND ST ITALIANO TECNOLOGIA (IT) 2017-12-06 EP disclosed
US-8748078-B2 Cyclic compound, process for preparation thereof, radiation-sensitive composition, and method for formation of resist pattern MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2014-06-10 US disclosed
EP-2476662-A1 CYCLIC COMPOUND, PROCESS FOR PREPARATION THEREOF, RADIATION-SENSITIVE COMPOSITION, AND METHOD FOR FORMATION OF RESIST PATTERN Mitsubishi Gas Chemical Company, Inc. (JP) 2012-07-18 EP disclosed
US-20120164576-A1 CYCLIC COMPOUND, PROCESS FOR PREPARATION THEREOF, RADIATION-SENSITIVE COMPOSITION, AND METHOD FOR FORMATION OF RESIST PATTERN MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2012-06-28 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-20120164576-A1 CYCLIC COMPOUND, PROCESS FOR PREPARATION THEREOF, RADIATION-SENSITIVE COMPOSITION, AND METHOD FOR FORMATION OF RESIST PATTERN RAD1, RER1, REV1 MAOA 4597/4885MAOB 4132/4885ALDH1A1 1204/4885

“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.