SCHEMBL8201459

SCHEMBL8201459

Cc1cc(C(C)(C)C)cc(C)c1OCCO

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 1/20 0.43
CYP3A4 P08684 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ALDH1A1 P00352 2/20 0.39
HTR1D P28221 2/20 0.39
HTR1B P28222 1/20 0.39
POLB P06746 1/20 0.39
TLR4 O00206 3/20 0.39
CD14 P08571 3/20 0.39
LY96 Q9Y6Y9 3/20 0.39
BRD4 O60885 1/20 0.38
KDM4E B2RXH2 2/20 0.38
ELANE P08246 1/20 0.38
CD69 Q07108 1/20 0.38
GABRA1 P14867 1/20 0.37
GABRB2 P47870 1/20 0.37
SCN2A Q99250 2/20 0.36
GAA P10253 1/20 0.36
KMT2A Q03164 1/20 0.36
HSD17B10 Q99714 1/20 0.36

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
SCHEMBL347042 0.88 HTR1A (0.43) HTR1ACYP3A4SMN1; SMN2ALDH1A1BRD4
SCHEMBL817162 0.86 HTR1A (0.35) HTR1ACYP3A4SMN1; SMN2ALDH1A1HTR1D
SCHEMBL13130673 0.82 RXRA (0.40) CYP3A4SMN1; SMN2TLR4CD14LY96
SCHEMBL25757386 0.82 CYP3A4 (0.58) HTR1ACYP3A4SMN1; SMN2ALDH1A1BRD4
SCHEMBL7907550 0.82 HTR1A (0.39) HTR1ACYP3A4SMN1; SMN2ALDH1A1BRD4
SCHEMBL3398525 0.81 HTR1A (0.58) HTR1AALDH1A1BRD4KDM4EGAA
SCHEMBL7906169 0.81 ESR1 (0.52) HTR1ABRD4
SCHEMBL15187966 0.80 THRA (0.42) ALDH1A1HTR1DHTR1BPOLBTLR4
SCHEMBL7908932 0.79 HTR1A (0.40) HTR1ACYP3A4SMN1; SMN2ALDH1A1BRD4
SCHEMBL13964548 0.79 ALDH1A1 (0.49) HTR1ACYP3A4SMN1; SMN2ALDH1A1BRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10738025-B2 Modified polyphenol binder compositions and methods for making and using same GEORGIA-PACIFIC CHEMICALS LLC (US) 2020-08-11 US disclosed
US-20170022178-A1 MODIFIED POLYPHENOL BINDER COMPOSITIONS AND METHODS FOR MAKING AND USING SAME GEORGIA-PACIFIC CHEMICALS LLC (US) 2017-01-26 US disclosed
WO-2000024715-A1 PIPERIDINE COMPOUNDS AND THEIR USE IN THE POPULATION CONTROL OF RODENTS AND OTHER VERTEBRATE PESTS ALMIRALL PRODESFARMA, S.A. (ES) 2000-05-04 WO 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 (2 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-10738025-B2 Modified polyphenol binder compositions and methods for making and using same MYB, HLCS, KDM4C HTR1A 2287/4885CYP3A4 2031/4885SMN1; SMN2 3628/4885
US-20170022178-A1 MODIFIED POLYPHENOL BINDER COMPOSITIONS AND METHODS FOR MAKING AND USING SAME MYB, HLCS, KDM4C HTR1A 2287/4885CYP3A4 2031/4885SMN1; SMN2 3628/4885

“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.