SCHEMBL9624718

SCHEMBL9624718

CC(C)(C)OCCCCCCC=O

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.46
FAAH O00519 2/20 0.41
TRPV1 Q8NER1 2/20 0.41
HIF1A Q16665 1/20 0.39
ALDH1A1 P00352 1/20 0.31
MAPK1 P28482 1/20 0.30

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
SCHEMBL2095250 1.00 TSHR (0.46) TSHRFAAHTRPV1HIF1AALDH1A1
SCHEMBL9626017 0.91 HIF1A (0.43) TSHRFAAHTRPV1HIF1AALDH1A1
SCHEMBL13266749 0.83 TSHR (0.43) TSHRFAAHTRPV1HIF1A
SCHEMBL20843689 0.83 TSHR (0.43) TSHRFAAHTRPV1HIF1A
SCHEMBL2096128 0.80
SCHEMBL19193963 0.80 MAPK1 (0.35) ALDH1A1MAPK1
SCHEMBL13538316 0.80 MAPK1 (0.35) ALDH1A1MAPK1
SCHEMBL27240036 0.80 MAPK1 (0.35) ALDH1A1MAPK1
SCHEMBL12361992 0.80 MAPK1 (0.35) ALDH1A1MAPK1
SCHEMBL26172972 0.80 MAPK1 (0.35) ALDH1A1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240228507-A1 GREEN SOLVENTS FOR CHEMICAL REACTIONS Ecole polytechnique fédérale de Lausanne (EPFL) (CH) 2024-07-11 US disclosed
EP-4326725-A1 GREEN SOLVENTS FOR CHEMICAL REACTIONS ECOLE POLYTECHNIQUE FEDERALE DE LAUSANNE (EPFL) (CH) 2024-02-28 EP disclosed
WO-2022223480-A1 GREEN SOLVENTS FOR CHEMICAL REACTIONS ECOLE POLYTECHNIQUE FEDERALE DE LAUSANNE (EPFL) (CH) 2022-10-27 WO disclosed
EP-0341538-B1 1-TERT.-BUTOXY-OMEGA-ALKENES AND THEIR USE IN AROMA COMPOSITIONS BASF Aktiengesellschaft (DE) 1992-03-18 EP disclosed
US-4965376-A INTERMEDIATES FOR INSECT ATTRACTANTS BASF AKTIENGESELLSCHAFT (DE) 1990-10-23 US disclosed
US-4931428-A PERFUMES; INTERMEDIATES FOR PHEROMONES BASF AKTIENGESELLSCHAFT (DE) 1990-06-05 US disclosed
EP-0341538-A1 1-Tert.-butoxy-omega-alkenes and their use in aroma compositions BASF Aktiengesellschaft (DE) 1989-11-15 EP disclosed
EP-0340710-A2 3,9 Dihydroxynonine and its in the 9-OH function protected derivatives BASF Aktiengesellschaft (DE) 1989-11-08 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-20240228507-A1 GREEN SOLVENTS FOR CHEMICAL REACTIONS CYP3A4, CYP2F1, CYP2C9 TSHR 3519/4885FAAH 3017/4885TRPV1 1919/4885

“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.