SCHEMBL20458041

SCHEMBL20458041

CC(C)c1cccc(C(C)C)c1-n1c(-c2ccccc2)nc2cc3ccccc3cc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.44
ALOX15 P16050 2/20 0.44
TSHR P16473 2/20 0.44
KDM4E B2RXH2 5/20 0.43
HSD17B10 Q99714 3/20 0.43
GAA P10253 3/20 0.43
NPC1 O15118 3/20 0.43
RAB9A P51151 3/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
TP53 P04637 2/20 0.43
MAPT P10636 2/20 0.43
GLA P06280 1/20 0.43
PKM P14618 1/20 0.43
HPGD P15428 1/20 0.43
NFKB1 P19838 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43
LMNA P02545 2/20 0.41
NLRP3 Q96P20 1/20 0.38
ATM Q13315 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
SCHEMBL15939833 0.86 ALDH1A1 (0.44) ALDH1A1ALOX15TSHRKDM4EHSD17B10
SCHEMBL15940200 0.85 ALDH1A1 (0.43) ALDH1A1ALOX15TSHRGAAMAPT
SCHEMBL13299533 0.85 NLRP3 (0.52) ALDH1A1ALOX15TSHRKDM4EGAA
SCHEMBL2456142 0.85 ESR1 (0.51) ALDH1A1ALOX15TSHRKDM4EHSD17B10
SCHEMBL15316051 0.80 KDM4E (0.46) ALDH1A1ALOX15TSHRKDM4EHSD17B10
SCHEMBL18371991 0.80 MAPK10 (0.48) ALDH1A1TSHRKDM4EHSD17B10RAB9A
SCHEMBL18371992 0.79 ESR1 (0.43) ALDH1A1ALOX15TSHRKDM4EHSD17B10
SCHEMBL15316056 0.79 ESR1 (0.41) ALDH1A1ALOX15TSHRKDM4EHSD17B10
SCHEMBL13299522 0.77 ESR1 (0.49) ALDH1A1ALOX15TSHRKDM4EHSD17B10
SCHEMBL13299540 0.76 NLRP3 (0.51) ALDH1A1KDM4ENPC1RAB9ASMN1; SMN2

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-10043987-B2 Organic electroluminescent materials and devices UNIVERSAL DISPLAY CORPORATION (US) 2018-08-07 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-10043987-B2 Organic electroluminescent materials and devices L3MBTL3, LAS1L, LMNB1 ALDH1A1 1433/4885ALOX15 628/4885TSHR 2046/4885

“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.