SCHEMBL21406559

SCHEMBL21406559

CCCCCCCCCCCCc1ccc(-c2cc(F)cc3nsnc23)s1

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 1/20 0.30
▸ CYP2E1 P05181 1/20 0.30
▸ CYP3A4 P08684 1/20 0.30
▸ CYP2C8 P10632 1/20 0.30
▸ CYP2D6 P10635 1/20 0.30
▸ CYP2A6 P11509 1/20 0.30
▸ CYP2C9 P11712 1/20 0.30
▸ CYP2B6 P20813 1/20 0.30
▸ CYP2C19 P33261 1/20 0.30

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
SCHEMBL29236176 0.81 MAPT (0.36) —
SCHEMBL28703221 0.81 MAPT (0.36) —
SCHEMBL25182939 0.81 CYP3A4 (0.35) CYP1A2CYP2E1CYP3A4CYP2C8CYP2D6
SCHEMBL20658858 0.81 CYP3A4 (0.35) CYP1A2CYP2E1CYP3A4CYP2C8CYP2D6
SCHEMBL17755566 0.79 CNR1 (0.30) —
SCHEMBL14702228 0.78 CYP1A2 (0.34) CYP1A2CYP2E1CYP3A4CYP2C8CYP2D6
SCHEMBL14699625 0.78 CYP1A2 (0.34) CYP1A2CYP2E1CYP3A4CYP2C8CYP2D6
SCHEMBL15261776 0.78 — —
SCHEMBL22972562 0.77 — —
SCHEMBL17694551 0.74 CYP1A2 (0.32) CYP1A2CYP2E1CYP3A4CYP2C8CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10815256-B2 Dithiophene compound, preparation and its application in organic photovoltaics thereof COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2020-10-27 — — US disclosed
US-20190300554-A1 NOVEL DITHIOPHENE COMPOUND, PREPARATION AND ITS APPLICATION IN ORGANIC PHOTOVOLTAICS THEREOF COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2019-10-03 — — 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-20190300554-A1 NOVEL DITHIOPHENE COMPOUND, PREPARATION AND ITS APPLICATION IN ORGANIC PHOTOVOLTAICS THEREOF DDT, TST, DIMT1 CYP1A2 1015/4885CYP2E1 761/4885CYP3A4 634/4885
US-10815256-B2 Dithiophene compound, preparation and its application in organic photovoltaics thereof DDT, TST, DIMT1 CYP1A2 932/4885CYP2E1 833/4885CYP3A4 805/4885

“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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