SCHEMBL8122575

SCHEMBL8122575

N#CC=[C]c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.50
APP P05067 1/20 0.41
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33
MAPT P10636 1/20 0.32
CYP1A2 P05177 2/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
THPO P40225 1/20 0.31
TRPA1 O75762 1/20 0.31
BLM P54132 1/20 0.30
PMP22 Q01453 1/20 0.30
ALDH1A1 P00352 1/20 0.30
GRM5 P41594 1/20 0.30
CYP1A1 P04798 1/20 0.30
CYP1B1 Q16678 1/20 0.30

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
SCHEMBL8122572 1.00 TSHR (0.50) TSHRAPPMAOAMAOBMAPT
SCHEMBL3956961 0.77 ENPP2 (0.44) TSHRMAPTALDH1A1GRM5
SCHEMBL3956963 0.77 ENPP2 (0.44) TSHRMAPTALDH1A1GRM5
SCHEMBL3963260 0.75 HDAC8 (0.42) TSHRMAPTALDH1A1
SCHEMBL3962374 0.75 HDAC8 (0.42) TSHRMAPTALDH1A1
SCHEMBL8084104 0.74 APP (0.41) TSHRAPPMAPTCYP1A2CYP3A4
SCHEMBL3963274 0.73 CYP2A6 (0.43) MAPTCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL3963271 0.73 CYP2A6 (0.43) MAPTCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL5574099 0.71 APP (0.50) TSHRAPPMAOBMAPTCYP1A2
Benzonitrile SCHEMBL5401909 0.71

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3036782-B1 NEW ABSORBER FOR ORGANIC HETEROJUNCTION SOLAR CELLS BASF SE (DE) 2019-10-09 EP claimed
US-20160211464-A1 NEW ABSORBER FOR ORGANIC HETEROJUNCTION SOLAR CELLS BASF SE (DE) 2016-07-21 US claimed
EP-3036782-A1 NEW ABSORBER FOR ORGANIC HETEROJUNCTION SOLAR CELLS BASF SE (DE) 2016-06-29 EP claimed
WO-2015024851-A1 NEW ABSORBER FOR ORGANIC HETEROJUNCTION SOLAR CELLS BASF SE (DE) 2015-02-26 WO claimed
EP-3036782-B1 NEW ABSORBER FOR ORGANIC HETEROJUNCTION SOLAR CELLS BASF SE (DE) 2019-10-09 EP disclosed
US-20160211464-A1 NEW ABSORBER FOR ORGANIC HETEROJUNCTION SOLAR CELLS BASF SE (DE) 2016-07-21 US disclosed
EP-3036782-A1 NEW ABSORBER FOR ORGANIC HETEROJUNCTION SOLAR CELLS BASF SE (DE) 2016-06-29 EP disclosed
WO-2015024851-A1 NEW ABSORBER FOR ORGANIC HETEROJUNCTION SOLAR CELLS BASF SE (DE) 2015-02-26 WO disclosed
EP-1054887-A1 BICYCLIC PYRIDINE AND PYRIMIDINE DERIVATIVES AS NEUROPEPTIDE Y RECEPTOR ANTAGONISTS Amgen Inc. (US) 2000-11-29 EP disclosed
WO-1999040091-A1 BICYCLIC PYRIDINE AND PYRIMIDINE DERIVATIVES AS NEUROPEPTIDE Y RECEPTOR ANTAGONISTS AMGEN INC. (US) 1999-08-12 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-20160211464-A1 NEW ABSORBER FOR ORGANIC HETEROJUNCTION SOLAR CELLS SLC18A2, EPCAM, SLC18A1 TSHR 4603/4885APP 326/4885MAOA 603/4885

“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.