SCHEMBL3677958

SCHEMBL3677958

CC(=O)OC(CCC1CC2C=CC1C2)CC(=O)O

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MMP12 P39900 1/20 0.40
LMNA P02545 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
KDM4E B2RXH2 10/20 0.36
ALDH1A1 P00352 6/20 0.33
TDP1 Q9NUW8 3/20 0.33
ALOX15 P16050 2/20 0.32
MAPT P10636 2/20 0.32
PKM P14618 2/20 0.32
MAPK1 P28482 1/20 0.32
POLB P06746 1/20 0.31
SLC18A3 Q16572 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 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
SCHEMBL3684801 0.78
SCHEMBL7729836 0.77 KDM4E (0.37) MMP12LMNAKDM4EALDH1A1TDP1
SCHEMBL6836071 0.72 KDM4E (0.32) KDM4EALDH1A1ALOX15POLB
SCHEMBL12634096 0.71 KDM4E (0.39) LMNAKDM4EALDH1A1TDP1ALOX15
SCHEMBL19096411 0.70 FOLH1 (0.38) LMNAKDM4EALDH1A1TDP1PKM
SCHEMBL899835 0.70 KDM4E (0.42) LMNAKDM4EALDH1A1TDP1ALOX15
SCHEMBL4786418 0.69 KDM4E (0.44) KDM4EALDH1A1TDP1MEN1KMT2A
SCHEMBL13346543 0.69 ALDH1A1 (0.39) LMNAKDM4EALDH1A1TDP1ALOX15
SCHEMBL3680119 0.69 KDM4E (0.44) LMNAKDM4EALDH1A1TDP1ALOX15
SCHEMBL4742262 0.69 KDM4E (0.41) LMNAKDM4EALDH1A1TDP1ALOX15

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 4 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-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 (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-20010051742-A1 Novel ester compounds having alicyclic structure and method for preparing same ARCN1, ECH1, GAR1 MMP12 4274/4885LMNA 218/4885SMN1; SMN2 2726/4885

“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.