SCHEMBL18088253

SCHEMBL18088253

Cc1cccc(C)c1N1c2ccccc2N(c2ccc(C#N)cc2)[C@@H]1C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 1/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ CYP2A6 P11509 1/20 0.34
▸ TSHR P16473 2/20 0.33
▸ CYP11B1 P15538 1/20 0.32
▸ CYP11B2 P19099 1/20 0.32
▸ PGR P06401 1/20 0.32
▸ NR1H3 Q13133 1/20 0.32
▸ AR P10275 3/20 0.31
▸ POLB P06746 1/20 0.31
▸ SCN8A Q9UQD0 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
SCHEMBL17169539 0.83 HTR7 (0.40) BRD4ALDH1A1KDM4EMEN1LMNA
SCHEMBL17173455 0.82 HTR7 (0.40) BRD4ALDH1A1MEN1CYP2A6TSHR
SCHEMBL21074258 0.76 ALDH1A1 (0.39) ALDH1A1KDM4EMEN1LMNAGAA
SCHEMBL19999692 0.76 ALDH1A1 (0.39) ALDH1A1KDM4EMEN1LMNAGAA
SCHEMBL17952488 0.74 CASP3 (0.36) BRD4ALDH1A1KDM4EMEN1LMNA
SCHEMBL17169538 0.74 FADS1 (0.40) ALDH1A1KDM4EMAPTTSHRTDP2
SCHEMBL17169535 0.71 HTR7 (0.37) BRD4ALDH1A1TSHRCYP11B1CYP11B2
SCHEMBL17169529 0.71 MDM2 (0.35) ALDH1A1TSHR
SCHEMBL17169578 0.70 HTR7 (0.36) ALDH1A1CYP11B2
SCHEMBL17169532 0.70 DRD4 (0.35) ALDH1A1CYP11B2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160276603-A1 Organic Electroluminescent Materials and Devices UNIVERSAL DISPLAY CORPORATION 2016-09-22 — — 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 (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-20160276603-A1 Organic Electroluminescent Materials and Devices EML4, BICRA, TBCB BRD4 9/4885ALDH1A1 889/4885KDM4E 1049/4885

“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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