SCHEMBL17868374

SCHEMBL17868374

CCCCCCCCCC=CCCCC(C)(C)C

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 5/20 0.54
TRPV1 Q8NER1 1/20 0.54
TERT O14746 3/20 0.52
PTPN1 P18031 3/20 0.52
PPARG P37231 3/20 0.52
PPARD Q03181 3/20 0.52
PPARA Q07869 3/20 0.52
TOP1 P11387 3/20 0.52
CYP1A2 P05177 2/20 0.52
MAPT P10636 2/20 0.52
CYP2C19 P33261 2/20 0.52
BLM P54132 2/20 0.52
HSD17B10 Q99714 2/20 0.52
FABP4 P15090 2/20 0.52
KMT2A Q03164 2/20 0.52
GMNN O75496 1/20 0.52
USP2 O75604 1/20 0.52
LMNA P02545 1/20 0.52
POLB P06746 1/20 0.52
CYP2C9 P11712 1/20 0.52

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
SCHEMBL21055048 1.00 FAAH (0.54) FAAHTRPV1TERTPTPN1PPARG
SCHEMBL17868373 1.00 FAAH (0.54) FAAHTRPV1TERTPTPN1PPARG
SCHEMBL15203624 0.95 FAAH (0.54) FAAHTRPV1TERTPTPN1PPARG
SCHEMBL21264913 0.95 FAAH (0.54) FAAHTRPV1TERTPTPN1PPARG
SCHEMBL31634913 0.95 FAAH (0.54) FAAHTRPV1TERTPTPN1PPARG
SCHEMBL27582536 0.95 FAAH (0.54) FAAHTRPV1TERTPTPN1PPARG
SCHEMBL27520344 0.93 FAAH (0.52) FAAHTRPV1TERTPTPN1PPARG
SCHEMBL26422373 0.93 FAAH (0.50) FAAHTRPV1TERTPTPN1PPARG
SCHEMBL28251544 0.90 F7 (0.45) FAAHTRPV1TERTPTPN1PPARG
SCHEMBL25983065 0.89 TRPV1 (0.53) TRPV1PPARGPPARDPPARAHSD17B10

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-9561989-B2 Process of asymmetric hydrogenation of ketals and acetals DSM IP ASSETS B.V. (NL) 2017-02-07 US disclosed
US-20160185683-A1 PROCESS OF ASYMMETRIC HYDROGENATION OF KETALS AND ACETALS DSM IP ASSETS B.V. (NL) 2016-06-30 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-20160185683-A1 PROCESS OF ASYMMETRIC HYDROGENATION OF KETALS AND ACETALS KAT5, AKR1D1, AKR1C2 FAAH 371/4885TRPV1 2845/4885TERT 4356/4885

“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.