SCHEMBL793654

SCHEMBL793654

C[Si](C)(C)c1cc2c3nc(-c4ccccc4)oc3c3cc([Si](C)(C)C)sc3c2s1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 4/20 0.44
▸ ALDH1A1 P00352 4/20 0.44
▸ HPGD P15428 4/20 0.44
▸ TSHR P16473 4/20 0.44
▸ HSD17B10 Q99714 3/20 0.44
▸ CYP1A2 P05177 2/20 0.44
▸ CYP3A4 P08684 2/20 0.44
▸ CYP2C19 P33261 2/20 0.44
▸ CYP2D6 P10635 1/20 0.44
▸ RCE1 Q9Y256 1/20 0.36
▸ IKBKB O14920 1/20 0.36
▸ CHUK O15111 1/20 0.36
▸ CDK2 P24941 1/20 0.36
▸ BTK Q06187 1/20 0.36
▸ ITK Q08881 1/20 0.36
▸ IKBKE Q14164 1/20 0.36
▸ SMN1; SMN2 Q16637 5/20 0.35
▸ RAB9A P51151 5/20 0.35
▸ NPC1 O15118 4/20 0.35
▸ CASP3 P42574 2/20 0.35

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
SCHEMBL793563 0.84 NPC1 (0.42) KDM4EALDH1A1HPGDHSD17B10CYP2C19
SCHEMBL793314 0.73 MAP4K4 (0.47) KDM4EALDH1A1HPGDSMN1; SMN2RAB9A
SCHEMBL793629 0.72 NQO2 (0.36) KDM4EMAPTKMT2A
SCHEMBL24466790 0.72 KDM4E (0.55) KDM4EALDH1A1HPGDTSHRHSD17B10
SCHEMBL10085124 0.71 — —
SCHEMBL19155110 0.67 NPC1 (0.40) KDM4EALDH1A1HPGDHSD17B10IKBKB
SCHEMBL28906136 0.67 RAB9A (0.44) KDM4EALDH1A1HPGDTSHRHSD17B10
SCHEMBL30859700 0.67 RAB9A (0.44) KDM4EALDH1A1HPGDTSHRHSD17B10
SCHEMBL30859703 0.67 RAB9A (0.44) KDM4EALDH1A1HPGDTSHRHSD17B10
SCHEMBL24104981 0.67 RAB9A (0.44) KDM4EALDH1A1HPGDTSHRHSD17B10

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2435500-B1 DIKETOPYRROLOPYRROLE POLYMERS FOR USE IN ORGANIC SEMICONDUCTOR DEVICES BASF SE (DE) 2019-10-30 — — EP disclosed
US-9716241-B2 Polycyclic dithiophenes BASF SE (DE) 2017-07-25 — — US disclosed
US-9716241-B2 Polycyclic dithiophenes BASF SE (DE) 2017-07-25 — — US disclosed
US-20160104849-A1 POLYCYCLIC DITHIOPHENES BASF SE (DE) 2016-04-14 — — US disclosed
US-20160104849-A1 POLYCYCLIC DITHIOPHENES BASF SE (DE) 2016-04-14 — — US disclosed
US-9233930-B2 Polycyclic dithiophenes BASF SE (DE) 2016-01-12 — — US disclosed
US-9233930-B2 Polycyclic dithiophenes BASF SE (DE) 2016-01-12 — — US disclosed
US-20120097935-A1 POLYCYCLIC DITHIOPHENES BASF SE (DE) 2012-04-26 — — US disclosed
US-20120071617-A1 DIKETOPYRROLOPYRROLE POLYMERS FOR USE IN ORGANIC SEMICONDUCTOR DEVICES BASF SE (DE) 2012-03-22 — — 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 (2 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-20160104849-A1 POLYCYCLIC DITHIOPHENES C1R, C2CD5, CBR3 KDM4E 873/4885ALDH1A1 3722/4885HPGD 2751/4885
US-20120097935-A1 POLYCYCLIC DITHIOPHENES C1R, IPO5, C2CD5 KDM4E 1103/4885ALDH1A1 3736/4885HPGD 2721/4885

“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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