SCHEMBL11022835

SCHEMBL11022835

CCCCCC(=CCO)CC

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 4/20 0.39
CES1 P23141 4/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
AKR1B1 P15121 1/20 0.37
TSHR P16473 5/20 0.36
ALDH1A1 P00352 3/20 0.36
LMNA P02545 2/20 0.36
HSD17B10 Q99714 2/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
PPARG P37231 6/20 0.36
PPARD Q03181 6/20 0.36
PPARA Q07869 6/20 0.36
GPR84 Q9NQS5 5/20 0.36
HDAC11 Q96DB2 5/20 0.36
TLR2 O60603 2/20 0.36
TDP1 Q9NUW8 2/20 0.36
FABP4 P15090 2/20 0.36
PTPN1 P18031 2/20 0.36
SLC22A6 Q4U2R8 1/20 0.36

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
SCHEMBL17363603 1.00 CES2 (0.39) CES2CES1SMN1; SMN2AKR1B1TSHR
SCHEMBL17363645 0.98 CES2 (0.41) CES2CES1TSHRALDH1A1LMNA
SCHEMBL17363810 0.98 CES2 (0.41) CES2CES1TSHRALDH1A1LMNA
SCHEMBL17363644 0.98 CES2 (0.41) CES2CES1TSHRALDH1A1LMNA
SCHEMBL17363811 0.98 CES2 (0.41) CES2CES1TSHRALDH1A1LMNA
SCHEMBL17363849 0.93 CES1 (0.36) CES2CES1SMN1; SMN2TSHRALDH1A1
SCHEMBL17363851 0.93 CES1 (0.36) CES2CES1SMN1; SMN2TSHRALDH1A1
SCHEMBL25220702 0.90 CES2 (0.42) CES2CES1SMN1; SMN2AKR1B1TSHR
SCHEMBL22590076 0.88 CES2 (0.44) CES2CES1TSHRALDH1A1LMNA
SCHEMBL16013176 0.88 CES2 (0.44) CES2CES1TSHRALDH1A1LMNA

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-2966054-B1 METHOD OF PRODUCING OPTICALLY-ACTIVE ALDEHYDE TAKASAGO PERFUMERY CO LTD (JP) 2019-01-02 EP disclosed
US-10029969-B2 Method of producing optically-active aldehyde TAKASAGO INTERNATIONAL CORPORATION (JP) 2018-07-24 US disclosed
EP-2966054-A1 METHOD OF PRODUCING OPTICALLY-ACTIVE ALDEHYDE Takasago International Corporation (JP) 2016-01-13 EP disclosed
US-20150376102-A1 METHOD OF PRODUCING OPTICALLY-ACTIVE ALDEHYDE TAKASAGO INTERNATIONAL CORPORATION (JP) 2015-12-31 US disclosed
EP-0105288-B1 CARBACYCLINE, PREPARATION AND UTILIZATION THEREOF SCHERING AKTIENGESELLSCHAFT (DE) 1985-12-11 EP disclosed
EP-0055208-B1 CARBACYCLINS, PROCESS FOR THEIR PREPARATION AND THEIR UTILIZATION AS PHARMACEUTICAL PREPARATIONS SCHERING AKTIENGESELLSCHAFT (DE) 1985-03-13 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-10029969-B2 Method of producing optically-active aldehyde ALDH3A1, ALDH1A2, ADH1A CES2 296/4885CES1 574/4885SMN1; SMN2 3481/4885
US-20150376102-A1 METHOD OF PRODUCING OPTICALLY-ACTIVE ALDEHYDE ALDH3A1, ALDH1A2, ADH1A CES2 296/4885CES1 574/4885SMN1; SMN2 3481/4885

“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.