SCHEMBL4055722

SCHEMBL4055722

CCCCc1ccc(C(O)O)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.55
CA1 P00915 1/20 0.55
ALDH1A1 P00352 3/20 0.53
HSD17B10 Q99714 2/20 0.53
HPGD P15428 1/20 0.53
ESR1 P03372 2/20 0.52
ADRA2A P08913 2/20 0.52
ADORA3 P0DMS8 2/20 0.52
TACR2 P21452 2/20 0.52
SLC6A2 P23975 2/20 0.52
SLC6A4 P31645 2/20 0.52
SLC6A3 Q01959 2/20 0.52
KDM4E B2RXH2 1/20 0.52
LMNA P02545 1/20 0.52
SHBG P04278 1/20 0.52
TP53 P04637 1/20 0.52
CYP3A4 P08684 1/20 0.52
HSPD1 P10809 1/20 0.52
ADRB3 P13945 1/20 0.52
HTR2C P28335 1/20 0.52

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
SCHEMBL12031207 0.93 ESR1 (0.61) ALDH1A1HSD17B10ESR1ADRA2AADORA3
SCHEMBL28154533 0.91 ESR1 (0.64) ALDH1A1HSD17B10ESR1ADRA2AADORA3
SCHEMBL21286907 0.88 LPL (0.50) CA2CA1ALDH1A1HSD17B10HPGD
SCHEMBL3952158 0.87 CA2 (0.52) CA2CA1ALDH1A1HSD17B10HPGD
SCHEMBL31435836 0.85 CA2 (0.50) CA2CA1ALDH1A1HSD17B10HPGD
SCHEMBL9500260 0.85 LMNA (0.52) CA2CA1ALDH1A1HSD17B10HPGD
SCHEMBL22571095 0.85 ALDH1A1 (0.53) CA2CA1ALDH1A1HSD17B10HPGD
SCHEMBL2494565 0.84 CA2 (0.52) CA2CA1ALDH1A1HSD17B10HPGD
SCHEMBL28633585 0.84 CA1 (0.48) CA2CA1ALDH1A1HSD17B10HPGD
SCHEMBL18910999 0.84 CA2 (0.48) CA2CA1ALDH1A1HSD17B10HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7553988-B2 Method for producing coupling compound SUMITOMO CHEMICAL COMPANY, LIMTED (JP) 2009-06-30 US disclosed
EP-1439157-B1 Method for producing Suzuki coupling compound catalysed by a nickel compound SUMITOMO CHEMICAL CO (JP) 2007-07-11 EP disclosed
US-7217677-B2 Method for producing coupling compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2007-05-15 US disclosed
US-20060281925-A1 METHOD FOR PRODUCING COUPLING COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2006-12-14 US disclosed
EP-1227077-B1 Process for producing cyclopropanecarboxylates SUMITOMO CHEMICAL CO (JP) 2006-03-22 EP disclosed
US-20040161404-A1 Method for producing coupling compound SUMITOMO CHEMICAL COMPANY, LIMITED 2004-08-19 US disclosed
EP-1439157-A2 Method for producing Suzuki coupling compound catalysed by a nickel compound Sumitomo Chemical Co.,Ltd. (JP) 2004-07-21 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-20060281925-A1 METHOD FOR PRODUCING COUPLING COMPOUND RPL22, CYP4A22, PYM1 CA2 33/4885CA1 47/4885ALDH1A1 3831/4885
US-20040161404-A1 Method for producing coupling compound PYM1, MALT1, BET1 CA2 47/4885CA1 19/4885ALDH1A1 3550/4885

“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.