SCHEMBL16532203

SCHEMBL16532203

c1ccc(-c2cc3c(s2)-c2sccc2[SiH2]3)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTP4A3 O75365 2/20 0.40
▸ PTP4A2 Q12974 1/20 0.38
▸ PTP4A1 Q93096 1/20 0.38
▸ HSD17B1 P14061 4/20 0.37
▸ ALDH1A1 P00352 5/20 0.34
▸ KDM4E B2RXH2 5/20 0.34
▸ MEN1 O00255 3/20 0.34
▸ KMT2A Q03164 3/20 0.34
▸ HSD17B2 P37059 3/20 0.33
▸ GAA P10253 2/20 0.33
▸ HPGD P15428 1/20 0.33
▸ ESR1 P03372 1/20 0.33
▸ ESR2 Q92731 1/20 0.33
▸ IKBKB O14920 2/20 0.32
▸ CYP1A2 P05177 2/20 0.32
▸ CYP3A4 P08684 2/20 0.32
▸ CYP2C9 P11712 1/20 0.32
▸ BTK Q06187 1/20 0.32
▸ RAB9A P51151 2/20 0.31
▸ SMN1; SMN2 Q16637 2/20 0.31

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
SCHEMBL819495 0.73 CES1 (0.38) —
SCHEMBL19296410 0.72 CYP2A6 (0.32) —
SCHEMBL17368871 0.67 PTP4A3 (0.40) PTP4A3PTP4A2PTP4A1HSD17B1ALDH1A1
SCHEMBL16532198 0.65 PTP4A3 (0.41) PTP4A3PTP4A2PTP4A1HSD17B1ALDH1A1
SCHEMBL21442351 0.64 PTP4A3 (0.38) PTP4A3PTP4A2PTP4A1HSD17B1ALDH1A1
SCHEMBL16532191 0.63 ESR1 (0.46) HSD17B1ALDH1A1KDM4EMEN1KMT2A
SCHEMBL9755135 0.62 HSD17B1 (0.70) PTP4A3PTP4A2PTP4A1HSD17B1ALDH1A1
SCHEMBL18390779 0.62 HSD17B1 (0.61) PTP4A3PTP4A2PTP4A1HSD17B1ALDH1A1
SCHEMBL28248091 0.62 ESR1 (0.44) HSD17B1ALDH1A1KDM4EMEN1KMT2A
SCHEMBL14960836 0.61 HSD17B1 (0.46) HSD17B1ALDH1A1KDM4EMEN1KMT2A

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-3036782-B1 NEW ABSORBER FOR ORGANIC HETEROJUNCTION SOLAR CELLS BASF SE (DE) 2019-10-09 — — EP disclosed
US-20160211464-A1 NEW ABSORBER FOR ORGANIC HETEROJUNCTION SOLAR CELLS BASF SE (DE) 2016-07-21 — — US disclosed
US-20160211464-A1 NEW ABSORBER FOR ORGANIC HETEROJUNCTION SOLAR CELLS BASF SE (DE) 2016-07-21 — — US disclosed
WO-2015024851-A1 NEW ABSORBER FOR ORGANIC HETEROJUNCTION SOLAR CELLS BASF SE (DE) 2015-02-26 — — WO 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-20160211464-A1 NEW ABSORBER FOR ORGANIC HETEROJUNCTION SOLAR CELLS SLC18A2, EPCAM, SLC18A1 PTP4A3 3219/4885PTP4A2 2782/4885PTP4A1 2957/4885

“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.

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