SCHEMBL19851285

SCHEMBL19851285

C=C/C(=C\C=C(/C)N(c1ccc(-c2ccc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)cc2)cc1)c1cccc2ccccc12)c1ccc(-c2ccc(N(c3ccccc3)c3ccccc3)cc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 5/20 0.42
▸ ALDH1A1 P00352 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ CYP1A2 P05177 1/20 0.30
▸ CYP3A4 P08684 1/20 0.30
▸ CYP2D6 P10635 1/20 0.30
▸ CYP2C9 P11712 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
SCHEMBL18127436 0.94 SIGMAR1 (0.43) SIGMAR1ALDH1A1KMT2ACYP1A2CYP3A4
SCHEMBL23838470 0.86 NPSR1 (0.34) ALDH1A1KMT2ACYP1A2CYP3A4CYP2D6
SCHEMBL19474333 0.86 NPSR1 (0.34) ALDH1A1KMT2ACYP1A2CYP3A4CYP2D6
SCHEMBL18081492 0.84 MAPT (0.36) ALDH1A1KMT2A
SCHEMBL19654949 0.83 MAPT (0.32) ALDH1A1KMT2ACYP1A2CYP3A4CYP2D6
SCHEMBL15134163 0.82 SIGMAR1 (0.35) SIGMAR1
SCHEMBL21004214 0.81 SIGMAR1 (0.43) SIGMAR1ALDH1A1KMT2ACYP1A2CYP3A4
SCHEMBL19544819 0.80 CYP2C9 (0.39) SIGMAR1ALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL18857097 0.80 SIGMAR1 (0.47) SIGMAR1ALDH1A1KMT2ACYP1A2CYP3A4
SCHEMBL23951442 0.78 CASP3 (0.33) ALDH1A1

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-11094888-B2 Organic electroluminescent device using aryl amine derivative containing heterocycle IDEMITSU KOSAN CO., LTD. (JP) 2021-08-17 — — US disclosed
US-20180040828-A1 ORGANIC ELECTROLUMINESCENT DEVICE USING ARYL AMINE DERIVATIVE CONTAINING HETEROCYCLE IDEMITSU KOSAN CO., LTD. (JP) 2018-02-08 — — 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-11094888-B2 Organic electroluminescent device using aryl amine derivative containing heterocycle SLC18A1, SLC18A2, AOC2 SIGMAR1 871/4885ALDH1A1 171/4885KMT2A 2384/4885
US-20180040828-A1 ORGANIC ELECTROLUMINESCENT DEVICE USING ARYL AMINE DERIVATIVE CONTAINING HETEROCYCLE SLC18A1, SLC18A2, AOC2 SIGMAR1 871/4885ALDH1A1 171/4885KMT2A 2384/4885

“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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