SCHEMBL3087312

SCHEMBL3087312

c1coc(-c2ccc(-c3cccs3)s2)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.54
KDM4E B2RXH2 2/20 0.54
NPC1 O15118 2/20 0.54
HPGD P15428 2/20 0.54
RAB9A P51151 2/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
HSD17B10 Q99714 2/20 0.54
TOP1 P11387 1/20 0.53
DPP4 P27487 4/20 0.51
LTA4H P09960 1/20 0.49
POLB P06746 3/20 0.47
HIF1A Q16665 1/20 0.47
SIRT1 Q96EB6 1/20 0.47
DCTPP1 Q9H773 1/20 0.47
LMNA P02545 2/20 0.42
GAA P10253 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
GLA P06280 1/20 0.42
MAPT P10636 1/20 0.42
ADORA2A P29274 3/20 0.42

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
SCHEMBL521943 0.86 ALDH1A1 (0.62) ALDH1A1KDM4ENPC1HPGDRAB9A
SCHEMBL13942801 0.79 DPP4 (0.65) ALDH1A1KDM4ENPC1HPGDRAB9A
SCHEMBL14703073 0.79 DPP4 (0.65) ALDH1A1KDM4ENPC1HPGDRAB9A
SCHEMBL15957843 0.79 DPP4 (0.65) ALDH1A1KDM4ENPC1HPGDRAB9A
Alpha-Terthienyl SCHEMBL147274 0.79 DPP4 (0.65) ALDH1A1KDM4ENPC1HPGDRAB9A
SCHEMBL23611278 0.79 DPP4 (0.65) ALDH1A1KDM4ENPC1HPGDRAB9A
SCHEMBL1105086 0.79 DPP4 (0.65) ALDH1A1KDM4ENPC1HPGDRAB9A
SCHEMBL2742433 0.79 DPP4 (0.65) ALDH1A1KDM4ENPC1HPGDRAB9A
SCHEMBL13707354 0.79 DPP4 (0.65) ALDH1A1KDM4ENPC1HPGDRAB9A
SCHEMBL499333 0.79 DPP4 (0.65) ALDH1A1KDM4ENPC1HPGDRAB9A

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
EP-1691586-B1 CHARGE-TRANSPORTING ORGANIC MATERIAL CONTAINING COMPOUND HAVING 1,4-DITHIIN RING NISSAN CHEMICAL IND LTD (JP) 2015-10-14 EP disclosed
US-7795452-B2 Charge-transporting organic material containing compound having 1,4-dithiin ring NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2010-09-14 US disclosed
US-20070043222-A1 Charge-transporting organic material containing compound having 1,4-dithiin ring NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2007-02-22 US disclosed
EP-1691586-A1 CHARGE-TRANSPORTING ORGANIC MATERIAL CONTAINING COMPOUND HAVING 1,4-DITHIIN RING Nissan Chemical Industries, Ltd. (JP) 2006-08-16 EP 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-20070043222-A1 Charge-transporting organic material containing compound having 1,4-dithiin ring SLCO2A1, SLCO4C1, VIL1 ALDH1A1 849/4885KDM4E 2236/4885NPC1 1070/4885

“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.