SCHEMBL685430

SCHEMBL685430

CCCOC(=O)C(C)(CC)CC

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 1/20 0.39
ALDH1A1 P00352 5/20 0.38
LMNA P02545 2/20 0.36
GRM1 Q13255 1/20 0.36
TSHR P16473 2/20 0.35
CHRM1 P11229 2/20 0.35
ESR1 P03372 1/20 0.35
SLC6A2 P23975 1/20 0.35
KDR P35968 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
RAB9A P51151 1/20 0.33
HSD17B10 Q99714 1/20 0.33
ATM Q13315 1/20 0.32
CHRM2 P08172 1/20 0.32
CHRM4 P08173 1/20 0.32
CHRM5 P08912 1/20 0.32
CHRM3 P20309 1/20 0.32

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
SCHEMBL13785308 0.92 HCAR2 (0.34) HCAR2ALDH1A1LMNAGRM1TSHR
SCHEMBL13785298 0.90 ALDH1A1 (0.36) ALDH1A1LMNATSHRCHRM1HSD17B10
SCHEMBL2754861 0.89 GRM1 (0.36) HCAR2ALDH1A1LMNAGRM1TSHR
SCHEMBL17617113 0.89 LMNA (0.38) HCAR2ALDH1A1LMNAGRM1TSHR
SCHEMBL9870240 0.84 HCAR2 (0.38) HCAR2ALDH1A1LMNAGRM1TSHR
SCHEMBL2444342 0.84 ACHE (0.38) ALDH1A1TSHRCHRM1HSD17B10CHRM2
SCHEMBL13785299 0.82 THRB (0.34) ALDH1A1LMNATSHRCHRM1HSD17B10
SCHEMBL18101008 0.82 ALDH1A1 (0.33) ALDH1A1LMNATSHRCHRM1HSD17B10
Ammonia Solution, Strong SCHEMBL28782120 0.82 LMNA (0.39) HCAR2ALDH1A1LMNAGRM1TSHR
SCHEMBL11008377 0.82 TSHR (0.38) ALDH1A1TSHRCHRM1RAB9ACHRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160083341-A1 METHOD FOR PRODUCING a-SUBSTITUTED CYSTEINE OR SALT THEREOF OR SYNTHETIC INTERMEDIATE OF a-SUBSTITUTED CYSTEINE API CORPORATION (JP) 2016-03-24 US disclosed
US-20110286935-A1 Multi-Functional Nano-Device ATRP Solutions, Inc. (US) 2011-11-24 US disclosed
EP-0629603-B1 Process for the production of esters MITSUBISHI GAS CHEMICAL CO (JP) 1997-10-29 EP disclosed
US-5463095-A Process for the production of esters MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 1995-10-31 US disclosed
EP-0629603-A1 Process for the production of esters MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 1994-12-21 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-20160083341-A1 METHOD FOR PRODUCING a-SUBSTITUTED CYSTEINE OR SALT THEREOF OR SYNTHETIC INTERMEDIATE OF a-SUBSTITUTED CYSTEINE MGMT, GSTA1, CBS HCAR2 4403/4885ALDH1A1 236/4885LMNA 4014/4885
US-20110286935-A1 Multi-Functional Nano-Device CD47, FCGRT, FCGR3B HCAR2 2761/4885ALDH1A1 2541/4885LMNA 4617/4885

“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.