SCHEMBL1883376

SCHEMBL1883376

CCCCOC(CC(=O)OC)OCCCC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.41
CA14 Q9ULX7 2/20 0.41
ALDH1A1 P00352 1/20 0.39
CA2 P00918 2/20 0.39
CA7 P43166 1/20 0.39
CA9 Q16790 1/20 0.39
TSHR P16473 3/20 0.38
CA1 P00915 1/20 0.37
POLB P06746 1/20 0.37
POLA1 P09884 1/20 0.37
ATM Q13315 1/20 0.36
BIRC2 Q13490 1/20 0.36
NAAA Q02083 1/20 0.35
DGKA P23743 1/20 0.35
ZDHHC7 Q9NXF8 1/20 0.35
NPC1 O15118 1/20 0.35
CASP1 P29466 1/20 0.35
RAB9A P51151 1/20 0.35
HPGD P15428 1/20 0.34
ACHE P22303 1/20 0.34

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
SCHEMBL8433989 0.90 TSHR (0.40) CA12CA14ALDH1A1CA2CA7
SCHEMBL18571158 0.84 ALDH1A1 (0.39) CA12CA14ALDH1A1CA2TSHR
SCHEMBL1879519 0.84 NAAA (0.44) ALDH1A1TSHRATMNAAADGKA
SCHEMBL1879488 0.84 NAAA (0.48) ALDH1A1TSHRATMNAAADGKA
SCHEMBL1879615 0.82 ALDH1A1 (0.42) ALDH1A1TSHRATMNAAADGKA
SCHEMBL27593839 0.82 NPC1 (0.38) CA12CA14ALDH1A1CA2TSHR
SCHEMBL13644543 0.82 TSHR (0.37) CA12CA14ALDH1A1CA2CA7
SCHEMBL1879109 0.81 LMNA (0.52) ALDH1A1TSHRATMNAAADGKA
SCHEMBL1875048 0.79 CYP2D6 (0.37) CA12CA14ALDH1A1CA7TSHR
SCHEMBL1886560 0.79 TSHR (0.42) CA12CA14ALDH1A1TSHRRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1666440-B1 METHOD FOR PRODUCING AROMATIC UNSATURATED COMPOUND SUMITOMO CHEMICAL CO (JP) 2014-01-22 EP disclosed
US-7939674-B2 Process for producing an aromatic unsaturated compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-05-10 US disclosed
US-7700642-B2 Process for producing an aromatic unsaturated compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-04-20 US disclosed
US-20090111999-A1 PROCESS FOR PRODUCING AN AROMATIC UNSATURATED COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-04-30 US disclosed
US-20080221337-A1 Process for Producing an Aromatic Unsaturated Compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2008-09-11 US disclosed
EP-1666440-A1 METHOD FOR PRODUCING AROMATIC UNSATURATED COMPOUND Sumitomo Chemical Company, Limited (JP) 2006-06-07 EP disclosed
EP-0562819-B1 Resist coating composition JSR CORP (JP) 1999-12-01 EP disclosed
EP-0562819-A2 Resist coating composition JAPAN SYNTHETIC RUBBER CO., LTD. (JP) 1993-09-29 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-20080221337-A1 Process for Producing an Aromatic Unsaturated Compound AHR, AR, ARSA CA12 2713/4885CA14 2159/4885ALDH1A1 231/4885
US-20090111999-A1 PROCESS FOR PRODUCING AN AROMATIC UNSATURATED COMPOUND AHR, AR, ARSA CA12 2713/4885CA14 2159/4885ALDH1A1 231/4885

“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.