SCHEMBL3677060

SCHEMBL3677060

CCC1CC2CCC1(OC(C)=O)C2

nearest known ligand 0.33

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.33
ALOX15 P16050 1/20 0.31

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
SCHEMBL7585185 0.83
SCHEMBL6761985 0.81
SCHEMBL3672304 0.73
SCHEMBL9761907 0.70
SCHEMBL452754 0.69
SCHEMBL7711858 0.69 ALDH1A1 (0.34)
SCHEMBL21642934 0.68 CYP3A4 (0.34)
SCHEMBL2969444 0.66
SCHEMBL11229854 0.66 NPSR1 (0.36) NPSR1ALOX15
SCHEMBL10518895 0.66 NPSR1 (0.34) NPSR1ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1149826-B1 Ester compounds having alicyclic structure, and methods for preparing the same SHINETSU CHEMICAL CO (JP) 2010-11-24 EP disclosed
US-6403823-B2 Ester compounds having alicyclic structure and method for preparing same SHIN-ETSU CHEMICAL CO., LTD. (JP) 2002-06-11 US disclosed
US-6403822-B2 NUCLEOPHILIC ADDITION OF ALICYCLIC CARBONYL AND METAL ENOLATE OF ACETATE; POLYCARBON MONOMERS FOR PHOTORESISTS; HIGH REACTIVITY AND SUBSTRATE AFFINITY SHIN-ETSU CHEMICAL, CO., LTD. (JP) 2002-06-11 US disclosed
US-20010051741-A1 Novel ester compounds having alicyclic structure and method for preparing same SHIN-ETSU CHEMICAL CO., LTD. (JP) 2001-12-13 US disclosed
US-20010051742-A1 Novel ester compounds having alicyclic structure and method for preparing same SHIN-ETSU CHEMICAL CO., LTD. (JP) 2001-12-13 US disclosed
EP-1149826-A2 Ester compounds having alicyclic structure, and methods for preparing the same Shin-Etsu Chemical Co., Ltd. (JP) 2001-10-31 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 (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-20010051742-A1 Novel ester compounds having alicyclic structure and method for preparing same ARCN1, ECH1, GAR1 NPSR1 3517/4885ALOX15 312/4885
US-20010051741-A1 Novel ester compounds having alicyclic structure and method for preparing same ARCN1, ECH1, ASIC1 NPSR1 3949/4885ALOX15 344/4885

“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.