SCHEMBL9946026

SCHEMBL9946026

CCCCOc1c(C)cc(C(C)C)cc1C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRA P10827 2/20 0.41
THRB P10828 2/20 0.41
RXRA P19793 2/20 0.39
PPARG P37231 2/20 0.39
RARG P13631 1/20 0.39
RARA P10276 1/20 0.38
RARB P10826 1/20 0.38
RXRB P28702 1/20 0.38
RXRG P48443 1/20 0.38
ALDH1A1 P00352 3/20 0.38
HTT P42858 1/20 0.38
SCN8A Q9UQD0 1/20 0.37
NPC1 O15118 1/20 0.37
HPGD P15428 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
KDM4E B2RXH2 2/20 0.37
LMNA P02545 1/20 0.37
MAPT P10636 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
SCHEMBL9945999 0.82 POLB (0.40) RXRAPPARGRARGALDH1A1HTT
SCHEMBL14495089 0.81 RXRA (0.39) THRATHRBRXRAPPARGRARG
SCHEMBL14416508 0.81 HTR1A (0.42) THRBALDH1A1SCN8ASMN1; SMN2KDM4E
SCHEMBL11586422 0.79 KMT2A (0.46) THRATHRBALDH1A1L3MBTL1KDM4E
SCHEMBL16021714 0.77 L3MBTL1 (0.38) ALDH1A1HTTSCN8AHPGDL3MBTL1
SCHEMBL11951678 0.77 ESR1 (0.49) THRATHRBALDH1A1HTTNPC1
SCHEMBL14154503 0.76 S1PR2 (0.44) THRATHRBALDH1A1SCN8AKDM4E
SCHEMBL12833304 0.76 SCN4A (0.44) SCN8ALMNACYP1A2CYP2D6SCN4A
SCHEMBL20023899 0.75 THRA (0.41) THRATHRBS1PR2S1PR1S1PR3
SCHEMBL21483559 0.74 SCN4A (0.36) SCN8ALMNACYP1A2CYP2D6SCN4A

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-20120149693-A1 THERAPEUTIC COMPOUNDS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2012-06-14 US disclosed
EP-2314599-A1 Glycopeptide antibiotic monomer derivatives National University Corporation Nagoya University (JP) 2011-04-27 EP 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-20120149693-A1 THERAPEUTIC COMPOUNDS HTR2C, GRK2, GRK3 THRA 1584/4885THRB 898/4885RXRA 1479/4885

“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.