SCHEMBL4998558

SCHEMBL4998558

COCc1ccc(/C(C#N)=C(\C#N)c2ccc(-c3ccc(OC)cc3)cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.47
ESR2 Q92731 1/20 0.44
NPC1 O15118 4/20 0.44
RAB9A P51151 4/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
POLB P06746 1/20 0.44
MAOB P27338 2/20 0.42
IDO1 P14902 2/20 0.42
AGXT P21549 2/20 0.42
ALDH1A1 P00352 2/20 0.41
MAPT P10636 1/20 0.41
HTT P42858 1/20 0.41
TP53 P04637 1/20 0.41
MAPK1 P28482 1/20 0.41
CASP3 P42574 1/20 0.41
SENP8 Q96LD8 1/20 0.41
SENP7 Q9BQF6 1/20 0.41
SENP6 Q9GZR1 1/20 0.41
PLA2G4B P0C869 1/20 0.40
KDM4E B2RXH2 1/20 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
SCHEMBL4998563 1.00 NAAA (0.47) NAAAESR2NPC1RAB9ASMN1; SMN2
SCHEMBL4998559 0.87 ESR2 (0.52) ESR2NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL4998557 0.87 ESR2 (0.52) ESR2NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL4994355 0.82 ALDH1A1 (0.46) NPC1RAB9ASMN1; SMN2ALDH1A1MAPT
SCHEMBL4994349 0.82 ALDH1A1 (0.46) NPC1RAB9ASMN1; SMN2ALDH1A1MAPT
SCHEMBL10011472 0.82 CES2 (0.52) SMN1; SMN2ALDH1A1MAPTMAPK1KDM4E
SCHEMBL10011469 0.82 CES2 (0.52) SMN1; SMN2ALDH1A1MAPTMAPK1KDM4E
SCHEMBL12736296 0.82 IDO1 (0.59) NAAAESR2NPC1RAB9ASMN1; SMN2
SCHEMBL18437081 0.82 IDO1 (0.59) NAAAESR2NPC1RAB9ASMN1; SMN2
SCHEMBL5001639 0.81 ERN1 (0.44) NPC1RAB9ASMN1; SMN2ALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080119499-A1 Compositions Havinge Improved 2-Photon Absorbance For Nonlinear Applications MEMPILE INC. (DE) 2008-05-22 US claimed
US-20080119499-A1 Compositions Havinge Improved 2-Photon Absorbance For Nonlinear Applications MEMPILE INC. (DE) 2008-05-22 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-20080119499-A1 Compositions Havinge Improved 2-Photon Absorbance For Nonlinear Applications HTR3D, CRY2, CNDP2 NAAA 3147/4885ESR2 1252/4885NPC1 170/4885

“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.