SCHEMBL15028093

SCHEMBL15028093

Cn1ccc2cc3cc4cc5ccccc5cc4cc3cc21

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCI P41743 1/20 0.48
CYP2A6 P11509 2/20 0.44
PIK3CB P42338 1/20 0.44
HSD11B1 P28845 1/20 0.44
ALDH1A1 P00352 3/20 0.41
LMNA P02545 2/20 0.41
KDM4E B2RXH2 2/20 0.41
MAPT P10636 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
CDK4 P11802 3/20 0.39
CCND1 P24385 3/20 0.39
KMT2A Q03164 1/20 0.38
NQO2 P16083 1/20 0.38
SLC6A2 P23975 2/20 0.38
SLC6A4 P31645 2/20 0.38
SLC6A3 Q01959 2/20 0.38
CYP2D6 P10635 1/20 0.38
KCNH2 Q12809 1/20 0.38
CYP3A4 P08684 1/20 0.37
ALOX15 P16050 1/20 0.37

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
SCHEMBL18683804 0.86 PRKCI (0.60) PRKCICYP2A6PIK3CBHSD11B1ALDH1A1
SCHEMBL15028094 0.85 CYP2A6 (0.41) PRKCICYP2A6PIK3CBHSD11B1ALDH1A1
SCHEMBL26569894 0.84 PRKCI (0.58) PRKCICYP2A6PIK3CBHSD11B1ALDH1A1
SCHEMBL21757297 0.77 KDM4E (0.47) PRKCICYP2A6PIK3CBHSD11B1ALDH1A1
SCHEMBL29384135 0.77 CDK4 (0.56) PRKCICYP2A6HSD11B1ALDH1A1KDM4E
SCHEMBL29812 0.77 CDK4 (0.56) PRKCICYP2A6HSD11B1ALDH1A1KDM4E
SCHEMBL17179248 0.76 HSD11B1 (0.58) PRKCICYP2A6HSD11B1ALDH1A1KDM4E
SCHEMBL19903845 0.76 HTR1D (0.59) CYP2A6HSD11B1ALDH1A1KDM4EMAPT
SCHEMBL14985338 0.75 ALDH1A1 (0.42) PRKCICYP2A6HSD11B1ALDH1A1KDM4E
Bromide SCHEMBL31591097 0.75 CDK4 (0.54) PRKCICYP2A6HSD11B1ALDH1A1KDM4E

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-9067886-B2 Compounds having semiconducting properties and related compositions and devices POLYERA CORPORATION (US) 2015-06-30 US disclosed
US-20130146851-A1 Compounds Having Semiconducting Properties and Related Compositions and Devices POLYERA CORPORATION (US) 2013-06-13 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-20130146851-A1 Compounds Having Semiconducting Properties and Related Compositions and Devices NES, KCNN2, EPCAM PRKCI 4386/4885CYP2A6 2848/4885PIK3CB 1396/4885

“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.