SCHEMBL10068522

SCHEMBL10068522

Cc1ccc(N(c2ccc(C#N)cc2)c2cc3c4ccccc4c(N(c4ccc(C)cc4)c4ccc(C#N)cc4)cc3c3ccccc23)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 2/20 0.48
ALDH1A1 P00352 1/20 0.48
ABCG2 Q9UNQ0 1/20 0.36
HCRTR2 O43614 1/20 0.36
RORC P51449 3/20 0.36
PTGER4 P35408 1/20 0.35
TSHR P16473 1/20 0.34
CA1 P00915 2/20 0.34
CA2 P00918 2/20 0.34
KEAP1 Q14145 1/20 0.34
NFE2L2 Q16236 1/20 0.34
KDM1A O60341 2/20 0.34
OXTR P30559 1/20 0.34
AVPR1A P37288 1/20 0.34
AR P10275 1/20 0.33
PER2 O15055 1/20 0.33
CRY1 Q16526 1/20 0.33
CRY2 Q49AN0 1/20 0.33
GFER P55789 1/20 0.32
DRD2 P14416 1/20 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
SCHEMBL10068693 0.92 TSHR (0.40) CYP2A6ALDH1A1ABCG2RORCPTGER4
SCHEMBL10068524 0.91 CYP2A6 (0.38) CYP2A6ALDH1A1ABCG2HCRTR2RORC
SCHEMBL15199340 0.91 ALDH1A1 (0.40) CYP2A6ALDH1A1ABCG2HCRTR2RORC
SCHEMBL10038673 0.90 ALDH1A1 (0.39) CYP2A6ALDH1A1ABCG2HCRTR2RORC
SCHEMBL10068520 0.89 TSHR (0.42) ALDH1A1ABCG2RORCPTGER4TSHR
SCHEMBL15856294 0.88 ALDH1A1 (0.42) CYP2A6ALDH1A1ABCG2HCRTR2RORC
SCHEMBL29556501 0.87 TSHR (0.38) CYP2A6ALDH1A1TSHRKEAP1NFE2L2
SCHEMBL74544 0.87 TSHR (0.38) CYP2A6ALDH1A1TSHRKEAP1NFE2L2
SCHEMBL10068521 0.84 RORC (0.37) ALDH1A1ABCG2RORCPTGER4TSHR
SCHEMBL24010998 0.84 CYP2C19 (0.39) ALDH1A1TSHRKEAP1NFE2L2KDM1A

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-20120013244-A1 ORGANIC LUMINESCENT MEDIUM IDEMITSU KOSAN CO., LTD. 2012-01-19 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-20120013244-A1 ORGANIC LUMINESCENT MEDIUM ANXA1, ANXA11, GLB1 CYP2A6 1167/4885ALDH1A1 61/4885ABCG2 77/4885

“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.