SCHEMBL10085126

SCHEMBL10085126

CCCCCCCCCCCCC(CCCCCCCCCC)Cn1c(=O)n(CC(CCCCCCCCCC)CCCCCCCCCCCC)c2cc3nc4c5cc(Br)sc5c5sc(Br)cc5c4nc3cc21

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.31
POLB P06746 1/20 0.31
PKM P14618 1/20 0.31
HPGD P15428 1/20 0.31
KEAP1 Q14145 1/20 0.31
NFE2L2 Q16236 1/20 0.31
SMN1; SMN2 Q16637 1/20 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
SCHEMBL10085672 0.86
SCHEMBL15280937 0.81 PTGER4 (0.32) PKMSMN1; SMN2
SCHEMBL15979464 0.81 PTGER4 (0.32) PKMSMN1; SMN2
SCHEMBL21359651 0.79 RORA (0.31)
SCHEMBL10028822 0.75 LMNA (0.33)
SCHEMBL15790118 0.71 TP53 (0.38) HPGDSMN1; SMN2
SCHEMBL13449890 0.71
SCHEMBL19342530 0.71 PKM (0.31) PKMSMN1; SMN2
SCHEMBL793562 0.70 ALDH1A1 (0.32)
SCHEMBL20783505 0.69 TNF (0.34) USP2POLBPKMHPGDKEAP1

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-2435497-B1 POLYCYCLIC DITHIOPHENES CLAP CO LTD (KR) 2023-07-05 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
WO-2010136401-A2 POLYCYCLIC DITHIOPHENES BASF SE (DE) 2010-12-02 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 (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 USP2 3631/4885POLB 4746/4885PKM 3621/4885
US-20120097935-A1 POLYCYCLIC DITHIOPHENES C1R, IPO5, C2CD5 USP2 4661/4885POLB 4762/4885PKM 3312/4885

“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.