SCHEMBL21164597

SCHEMBL21164597

S=C(S)c1ccc(-c2c3ccccc3cc3cc4ccccc4cc23)cc1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.46
ESR1 P03372 7/20 0.38
ESR2 Q92731 7/20 0.38
ALDH1A1 P00352 5/20 0.36
KDM4E B2RXH2 3/20 0.36
GAA P10253 2/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
MAPT P10636 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
GPR84 Q9NQS5 5/20 0.34
HSD17B10 Q99714 2/20 0.33
HIF1A Q16665 1/20 0.33
CYP1B1 Q16678 1/20 0.33
HPGD P15428 2/20 0.33
CYP1A2 P05177 1/20 0.33
GLA P06280 1/20 0.33
CYP2C19 P33261 1/20 0.33
NQO2 P16083 1/20 0.32

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
SCHEMBL21164592 0.98 ALOX5 (0.45) ALOX5ESR1ESR2ALDH1A1KDM4E
SCHEMBL21164725 0.94 ALOX5 (0.51) ALOX5ESR1ESR2ALDH1A1KDM4E
SCHEMBL21164723 0.92 ALOX5 (0.50) ALOX5ESR1ESR2ALDH1A1KDM4E
SCHEMBL2804923 0.83 ALOX5 (0.57) ALOX5ESR1ESR2ALDH1A1KDM4E
SCHEMBL21164766 0.81 ALOX5 (0.43) ALOX5ESR1ESR2ALDH1A1KDM4E
SCHEMBL30287529 0.79 KDM4E (0.49) ALOX5ESR1ESR2ALDH1A1KDM4E
SCHEMBL20494622 0.79 KDM4E (0.49) ALOX5ESR1ESR2ALDH1A1KDM4E
SCHEMBL21164777 0.78 CYP1A2 (0.47) ALOX5ESR1ESR2ALDH1A1KDM4E
SCHEMBL1155244 0.77 ESR1 (0.58) ALOX5ESR1ESR2ALDH1A1KDM4E
SCHEMBL23269791 0.75 ESR1 (0.55) ALOX5ESR1ESR2ALDH1A1KDM4E

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-10351580-B2 Acene-based transmitter molecules for photon upconversion THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2019-07-16 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-10351580-B2 Acene-based transmitter molecules for photon upconversion ACE, ACE2, AGTR1 ALOX5 3541/4885ESR1 527/4885ESR2 1146/4885

“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.