SCHEMBL3674830

SCHEMBL3674830

CC(CCC(=O)O)C1CC2CCC1C2

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.48
LMNA P02545 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
ALDH1A1 P00352 3/20 0.42
POLB P06746 1/20 0.39
MAPT P10636 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
KMT2A Q03164 1/20 0.37
GABRP O00591 2/20 0.37
GABRD O14764 2/20 0.37
GABRA1 P14867 2/20 0.37
GABRB1 P18505 2/20 0.37
GABRG2 P18507 2/20 0.37
GABRB3 P28472 2/20 0.37
GABRA5 P31644 2/20 0.37
GABRA3 P34903 2/20 0.37
GABRA2 P47869 2/20 0.37
GABRB2 P47870 2/20 0.37
GABRA4 P48169 2/20 0.37
GABRE P78334 2/20 0.37

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
SCHEMBL9929738 0.84 HPGD (0.43) HPGDLMNASMN1; SMN2ALDH1A1POLB
SCHEMBL11672951 0.84 HPGD (0.51) HPGDLMNASMN1; SMN2ALDH1A1POLB
SCHEMBL11603244 0.79 HPGD (0.53) HPGDLMNASMN1; SMN2ALDH1A1POLB
SCHEMBL25641315 0.79 HPGD (0.45) HPGDLMNASMN1; SMN2ALDH1A1POLB
SCHEMBL32688530 0.77 HPGD (0.51) HPGDLMNASMN1; SMN2ALDH1A1POLB
SCHEMBL25641317 0.74 HPGD (0.47) HPGDLMNASMN1; SMN2ALDH1A1POLB
SCHEMBL4819095 0.74 LMNA (0.41) HPGDLMNASMN1; SMN2ALDH1A1POLB
SCHEMBL3904262 0.74 HSD11B1 (0.42) MAPTL3MBTL1GABRPGABRDGABRA1
SCHEMBL1088756 0.73 HPGD (0.50) HPGDLMNASMN1; SMN2ALDH1A1POLB
SCHEMBL5405968 0.72 HPGD (0.45) HPGDLMNASMN1; SMN2ALDH1A1POLB

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 HPGD 3991/4885LMNA 218/4885SMN1; SMN2 2726/4885
US-20010051741-A1 Novel ester compounds having alicyclic structure and method for preparing same ARCN1, ECH1, ASIC1 HPGD 3934/4885LMNA 228/4885SMN1; SMN2 2354/4885

“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.