SCHEMBL21144983

SCHEMBL21144983

CCCCC/C=C/CN(C)C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 4/20 0.50
TRPV1 Q8NER1 2/20 0.50
TERT O14746 3/20 0.43
PTPN1 P18031 3/20 0.43
PPARG P37231 3/20 0.43
PPARD Q03181 3/20 0.43
PPARA Q07869 3/20 0.43
CYP1A2 P05177 2/20 0.43
MAPT P10636 2/20 0.43
CYP2C19 P33261 2/20 0.43
BLM P54132 2/20 0.43
HSD17B10 Q99714 2/20 0.43
FABP4 P15090 2/20 0.43
KMT2A Q03164 2/20 0.43
TOP1 P11387 2/20 0.43
GMNN O75496 1/20 0.43
USP2 O75604 1/20 0.43
LMNA P02545 1/20 0.43
POLB P06746 1/20 0.43
CYP2C9 P11712 1/20 0.43

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
SCHEMBL21144984 1.00 FAAH (0.50) FAAHTRPV1TERTPTPN1PPARG
SCHEMBL28146530 0.98 FAAH (0.54) FAAHTRPV1TERTPTPN1PPARG
SCHEMBL28022404 0.98 FAAH (0.54) FAAHTRPV1TERTPTPN1PPARG
SCHEMBL19137918 0.98 FAAH (0.54) FAAHTRPV1TERTPTPN1PPARG
Hydrochloric Acid SCHEMBL28919169 0.95 FAAH (0.52) FAAHTRPV1TERTPTPN1PPARG
Hydrochloric Acid SCHEMBL31598465 0.95 FAAH (0.52) FAAHTRPV1TERTPTPN1PPARG
Bromide SCHEMBL28606559 0.95 FAAH (0.52) FAAHTRPV1TERTPTPN1PPARG
Bromide SCHEMBL28602337 0.95 FAAH (0.52) FAAHTRPV1TERTPTPN1PPARG
Hydrochloric Acid SCHEMBL28558191 0.95 FAAH (0.52) FAAHTRPV1TERTPTPN1PPARG
Hydrochloric Acid SCHEMBL11148462 0.95 FAAH (0.52) FAAHTRPV1TERTPTPN1PPARG

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
CN-111601786-B Branched trialkylamine precursors, intermediates, products made therefrom and methods of making 伊士曼化工公司 2024-03-12 CN disclosed
US-20190218170-A1 BRANCHED TRIALKYLAMINE PRECURSORS, INTERMEDIATES, PRODUCTS MADE THEREFROM AND PROCESSES OF MANUFACTURE EASTMAN CHEMICAL COMPANY (US) 2019-07-18 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-20190218170-A1 BRANCHED TRIALKYLAMINE PRECURSORS, INTERMEDIATES, PRODUCTS MADE THEREFROM AND PROCESSES OF MANUFACTURE ACADM, ALK, FASN FAAH 310/4885TRPV1 3163/4885TERT 572/4885

“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.