SCHEMBL5001640

SCHEMBL5001640

COCc1ccc(C(C#N)=C(C#N)c2ccc(-c3ccc(C=O)cc3)cc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 1/20 0.44
ALDH1A1 P00352 6/20 0.41
EGFR P00533 2/20 0.38
RET P07949 1/20 0.36
KDM4E B2RXH2 1/20 0.35
EPHX2 P34913 1/20 0.35
NR1H4 Q96RI1 1/20 0.35
PDCD1 Q15116 1/20 0.34
CD274 Q9NZQ7 1/20 0.34
PTPN7 P35236 1/20 0.34
PTPN12 Q05209 1/20 0.34
PTPN22 Q9Y2R2 1/20 0.34
CYP2A6 P11509 1/20 0.34
NEK2 P51955 1/20 0.34
LMNA P02545 2/20 0.33
MAPT P10636 2/20 0.33
HPGD P15428 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ALDH5A1 P51649 1/20 0.33
ABAT P80404 1/20 0.33

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
SCHEMBL5001639 1.00 ERN1 (0.44) ERN1ALDH1A1EGFRRETKDM4E
SCHEMBL5216253 0.92 CYP2A6 (0.44) ERN1ALDH1A1KDM4ECYP2A6MAPT
SCHEMBL5216249 0.92 CYP2A6 (0.44) ERN1ALDH1A1KDM4ECYP2A6MAPT
SCHEMBL8362192 0.83 ERN1 (0.53) ERN1ALDH1A1PDCD1CD274CYP2A6
SCHEMBL4998563 0.81 NAAA (0.47) ALDH1A1KDM4EMAPTSMN1; SMN2NPC1
SCHEMBL4998558 0.81 NAAA (0.47) ALDH1A1KDM4EMAPTSMN1; SMN2NPC1
SCHEMBL4994349 0.79 ALDH1A1 (0.46) ALDH1A1KDM4EMAPTHPGDSMN1; SMN2
SCHEMBL4994355 0.79 ALDH1A1 (0.46) ALDH1A1KDM4EMAPTHPGDSMN1; SMN2
SCHEMBL3146081 0.78 ALDH1A1 (0.52) ERN1ALDH1A1PDCD1CD274CYP2A6
SCHEMBL14216188 0.78 ERN1 (0.43) ERN1ALDH1A1LMNAMAPTHPGD

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 ERN1 4268/4885ALDH1A1 281/4885EGFR 3832/4885

“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.