SCHEMBL812184

SCHEMBL812184

CC/C=C\CCCC(C)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.42
MAPT P10636 4/20 0.42
LPAR2 Q9HBW0 3/20 0.41
LPAR3 Q9UBY5 3/20 0.41
LPAR1 Q92633 1/20 0.41
CYP19A1 P11511 4/20 0.41
F7 P08709 3/20 0.41
F3 P13726 3/20 0.41
PPARG P37231 3/20 0.41
OXER1 Q8TDS5 3/20 0.41
PTGS1 P23219 2/20 0.41
KMT2A Q03164 2/20 0.41
PPARD Q03181 2/20 0.41
PPARA Q07869 2/20 0.41
ADORA3 P0DMS8 2/20 0.41
RXRA P19793 2/20 0.41
NR1I2 O75469 2/20 0.38
PTGS2 P35354 2/20 0.38
FFAR1 O14842 2/20 0.38
CYP3A4 P08684 2/20 0.38

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
SCHEMBL13703344 1.00 ALDH1A1 (0.42) ALDH1A1MAPTLPAR2LPAR3LPAR1
SCHEMBL6476347 1.00 ALDH1A1 (0.42) ALDH1A1MAPTLPAR2LPAR3LPAR1
SCHEMBL13703347 1.00 ALDH1A1 (0.42) ALDH1A1MAPTLPAR2LPAR3LPAR1
SCHEMBL6473375 1.00 ALDH1A1 (0.42) ALDH1A1MAPTLPAR2LPAR3LPAR1
SCHEMBL812185 1.00 ALDH1A1 (0.42) ALDH1A1MAPTLPAR2LPAR3LPAR1
SCHEMBL5364544 1.00 ALDH1A1 (0.42) ALDH1A1MAPTLPAR2LPAR3LPAR1
SCHEMBL6473370 1.00 ALDH1A1 (0.42) ALDH1A1MAPTLPAR2LPAR3LPAR1
SCHEMBL6476352 1.00 ALDH1A1 (0.42) ALDH1A1MAPTLPAR2LPAR3LPAR1
SCHEMBL811564 0.93 ALDH1A1 (0.49) ALDH1A1MAPTLPAR2LPAR3LPAR1
SCHEMBL13703359 0.93 ALDH1A1 (0.49) ALDH1A1MAPTLPAR2LPAR3LPAR1

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
EP-2386535-B1 Method for producing aldehyde and ketone SHINETSU CHEMICAL CO (JP) 2014-06-25 EP disclosed
US-8383863-B2 Method for producing aldehyde and ketone SHIN-ETSU CHEMICAL CO., LTD. (JP) 2013-02-26 US disclosed
US-20110282102-A1 Method for Producing Aldehyde and Ketone SHIN-ETSU CHEMICAL CO., LTD. 2011-11-17 US disclosed
EP-2386535-A1 Method for producing aldehyde and ketone Shin-Etsu Chemical Co., Ltd. (JP) 2011-11-16 EP disclosed
US-8041455-B2 Robotic cart pulling vehicle AETHON, INC. (US) 2011-10-18 US 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-20110282102-A1 Method for Producing Aldehyde and Ketone ADH1C, ADH1A, ADH5 ALDH1A1 6/4885MAPT 1791/4885LPAR2 2702/4885

“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.