SCHEMBL19368316

SCHEMBL19368316

CSc1ccc2c(c1)c1cc(SC)ccc1p2-c1ccccc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.34
▸ HPGD P15428 4/20 0.34
▸ GAA P10253 3/20 0.34
▸ KDM4E B2RXH2 3/20 0.34
▸ ALDH1A1 P00352 3/20 0.34
▸ HSD17B10 Q99714 2/20 0.34
▸ TSHR P16473 1/20 0.34
▸ FGFR1 P11362 1/20 0.34
▸ DHODH Q02127 1/20 0.34
▸ SMN1; SMN2 Q16637 4/20 0.33
▸ MEN1 O00255 3/20 0.33
▸ KMT2A Q03164 3/20 0.33
▸ NOX1 Q9Y5S8 1/20 0.33
▸ TP53 P04637 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ MCL1 Q07820 1/20 0.33
▸ KDM1A O60341 1/20 0.33
▸ PTGS2 P35354 2/20 0.33
▸ CYP1A2 P05177 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
SCHEMBL12337196 0.71 — —
SCHEMBL12841529 0.70 KIF11 (0.35) MAPTHPGDGAAKDM4EALDH1A1
SCHEMBL753503 0.70 KDM4E (0.30) HPGDKDM4EALDH1A1HSD17B10MEN1
SCHEMBL19368317 0.63 FGFR1 (0.51) MAPTHPGDGAAKDM4EALDH1A1
SCHEMBL13502049 0.63 CD44 (0.33) MAPTHPGDALDH1A1TSHRMEN1
SCHEMBL29507310 0.62 CYP2A6 (0.50) ALDH1A1HSD17B10NOX1CYP1A2CYP3A4
SCHEMBL11909803 0.62 CYP2A6 (0.50) ALDH1A1HSD17B10NOX1CYP1A2CYP3A4
SCHEMBL3387487 0.62 CYP2A6 (0.50) ALDH1A1HSD17B10NOX1CYP1A2CYP3A4
Methylphenylsulfide SCHEMBL1332325 0.62 — —
Methylphenylsulfide SCHEMBL7584 0.62 — —

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-9972795-B2 Organic light-emitting diode materials PRESIDENTS AND FELLOWS OF HARVARD COLLEGE (US) 2018-05-15 — — US disclosed
US-9972795-B2 Organic light-emitting diode materials PRESIDENTS AND FELLOWS OF HARVARD COLLEGE (US) 2018-05-15 — — US disclosed
US-20170271601-A1 Organic Light-Emitting Diode Materials UNITED STATES DEPARTMENT OF ENERGY 2017-09-21 — — US disclosed
US-20170271601-A1 Organic Light-Emitting Diode Materials UNITED STATES DEPARTMENT OF ENERGY 2017-09-21 — — 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-20170271601-A1 Organic Light-Emitting Diode Materials SELE, DRD4, DRD1 MAPT 672/4885HPGD 1617/4885GAA 1478/4885

“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.

Send feedback