SCHEMBL31369296

SCHEMBL31369296

Brc1cc(-c2ccccc2)ccc1C#Cc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.44
CYP1A2 P05177 2/20 0.42
CYP1A1 P04798 1/20 0.42
CYP1B1 Q16678 1/20 0.42
CRHBP P24387 1/20 0.42
CRHR2 Q13324 1/20 0.42
ALDH1A1 P00352 2/20 0.41
MAPT P10636 2/20 0.41
NPC1 O15118 2/20 0.41
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
HPGD P15428 1/20 0.41
CYP2C19 P33261 1/20 0.41
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HSD17B10 Q99714 1/20 0.41
MAPK1 P28482 1/20 0.40
CA12 O43570 3/20 0.40

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
SCHEMBL13820817 1.00 APP (0.44) APPCYP1A2CYP1A1CYP1B1CRHBP
SCHEMBL1230272 0.92 CRHBP (0.48) CYP1A2CYP1A1CYP1B1CRHBPCRHR2
SCHEMBL28311590 0.81 APP (0.48) APPCYP1A2ALDH1A1MAPTNPC1
SCHEMBL10623230 0.80 APP (0.57) APPCYP1A2ALDH1A1MAPTNPC1
SCHEMBL7787519 0.78 HNF4A (0.41) APPCYP1A2CRHBPCRHR2ALDH1A1
SCHEMBL7787325 0.78 APP (0.55) APPCYP1A2CYP1A1CYP1B1ALDH1A1
SCHEMBL13299908 0.78 APP (0.55) APPCYP1A2ALDH1A1MAPTNPC1
SCHEMBL18607689 0.78 PTGDR2 (0.47) APPCYP1A2ALDH1A1MAPTNPC1
SCHEMBL28739816 0.78 ALOX5 (0.53) APPCYP1A2CYP1A1CYP1B1ALDH1A1
SCHEMBL3862663 0.77 CRHBP (0.43) CRHBPCRHR2ALDH1A1MAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240400559-A1 SOLID STATE EMITTERS BASED ON PYRIDINIUM SCAFFOLDS COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2024-12-05 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-20240400559-A1 SOLID STATE EMITTERS BASED ON PYRIDINIUM SCAFFOLDS CYB5R3, NQO1, SQOR APP 3871/4885CYP1A2 384/4885CYP1A1 563/4885

“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.