SCHEMBL13502315

SCHEMBL13502315

Cc1cc2c(cc1C#N)c1cc(C#N)c(C)cc1p2-c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.41
▸ ALDH1A1 P00352 4/20 0.36
▸ KDM4E B2RXH2 3/20 0.36
▸ GAA P10253 2/20 0.36
▸ HPGD P15428 2/20 0.36
▸ GALR3 O60755 1/20 0.36
▸ MAOA P21397 3/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ ABCG2 Q9UNQ0 1/20 0.32
▸ MAOB P27338 2/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ KDM1A O60341 2/20 0.32

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
SCHEMBL13502075 0.81 APP (0.38) ALDH1A1KDM4EHPGDCYP1A2CYP2C9
SCHEMBL13502048 0.74 ACHE (0.35) TSHRALDH1A1MEN1KMT2A
SCHEMBL13502049 0.74 CD44 (0.33) TSHRALDH1A1HPGDMEN1LMNA
SCHEMBL13502073 0.71 TTR (0.41) ALDH1A1KDM4EHPGDCYP1A2MAOB
SCHEMBL13502074 0.69 G6PD (0.36) TSHRALDH1A1KDM4EGAAHPGD
SCHEMBL13502060 0.69 — —
SCHEMBL13502079 0.68 CYP1A2 (0.39) TSHRALDH1A1KDM4EHPGDCYP1A2
SCHEMBL13502076 0.67 ALDH1A1 (0.40) TSHRALDH1A1KDM4EHPGDCYP1A2
SCHEMBL753503 0.66 KDM4E (0.30) ALDH1A1KDM4EHPGDCYP1A2CYP2C19
SCHEMBL8267880 0.66 TSHR (0.54) TSHRALDH1A1KDM4EGAACYP1A2

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-7662478-B2 Polymer and polymer light-emitting device using the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-02-16 — — US disclosed
US-20080103278-A1 NEW POLYMER AND POLYMER LIGHT-EMITTING DEVICE USING THE SAME SUMITOMO CHEMICAL COMPANY, LIMITED 2008-05-01 — — 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 (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-20080103278-A1 NEW POLYMER AND POLYMER LIGHT-EMITTING DEVICE USING THE SAME CRY1, ARCN1, CORO1A TSHR 2859/4885ALDH1A1 272/4885KDM4E 4538/4885

“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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