SCHEMBL4998557

SCHEMBL4998557

COc1ccc(-c2ccc(/C(C#N)=C(\C#N)c3ccc(-c4ccc(OC)cc4)cc3)cc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 1/20 0.52
NPC1 O15118 2/20 0.51
RAB9A P51151 2/20 0.51
NQO2 P16083 1/20 0.47
NPSR1 Q6W5P4 2/20 0.47
MAPT P10636 2/20 0.47
ALDH1A1 P00352 2/20 0.47
KDM4E B2RXH2 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
HPGD P15428 1/20 0.47
TSHR P16473 1/20 0.47
NFKB1 P19838 1/20 0.47
APEX1 P27695 1/20 0.47
BLM P54132 1/20 0.47
PMP22 Q01453 1/20 0.47
MAPK1 P28482 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
TP53 P04637 1/20 0.47
CASP3 P42574 1/20 0.47

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
SCHEMBL4998559 1.00 ESR2 (0.52) ESR2NPC1RAB9ANQO2NPSR1
SCHEMBL10011472 0.94 CES2 (0.52) NQO2NPSR1MAPTALDH1A1KDM4E
SCHEMBL10011469 0.94 CES2 (0.52) NQO2NPSR1MAPTALDH1A1KDM4E
SCHEMBL5216196 0.93 ACHE (0.52) ESR2NPC1RAB9ANQO2NPSR1
SCHEMBL5216189 0.93 ACHE (0.52) ESR2NPC1RAB9ANQO2NPSR1
SCHEMBL14216187 0.88 NPC1 (0.49) NPC1RAB9AMAPTALDH1A1KDM4E
SCHEMBL14215994 0.88 PARP10 (0.46) ESR2NPC1RAB9ANQO2NPSR1
SCHEMBL4998563 0.87 NAAA (0.47) ESR2NPC1RAB9AMAPTALDH1A1
SCHEMBL4998558 0.87 NAAA (0.47) ESR2NPC1RAB9AMAPTALDH1A1
SCHEMBL12551512 0.86 ESR2 (0.55) ESR2NPC1RAB9ANQO2NPSR1

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
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
US-20080119499-A1 Compositions Havinge Improved 2-Photon Absorbance For Nonlinear Applications MEMPILE INC. (DE) 2008-05-22 US disclosed
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 ESR2 1252/4885NPC1 170/4885RAB9A 1593/4885

“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.