SCHEMBL4452995

SCHEMBL4452995

CCOC(=O)COC(=O)O

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.55
MGAM O43451 1/20 0.55
SI P14410 1/20 0.55
MGAM2 Q2M2H8 1/20 0.55
ALDH1A1 P00352 3/20 0.50
TRPA1 O75762 1/20 0.50
LMNA P02545 1/20 0.43
HSD17B10 Q99714 1/20 0.43
NLRP3 Q96P20 7/20 0.43
CYP1A2 P05177 1/20 0.43
TSHR P16473 1/20 0.42
ALOX15 P16050 1/20 0.42
SOAT1 P35610 1/20 0.42
NPSR1 Q6W5P4 1/20 0.40
HCAR2 Q8TDS4 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL27411503 0.81 ALDH1A1 (0.63) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL3674 0.80
SCHEMBL29697593 0.80 ALDH1A1 (0.59) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL1521319 0.79 GAA (0.79) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL30494447 0.79 MGAM (0.55) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL11820857 0.79 ALDH1A1 (0.68) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL1006090 0.79 ALDH1A1 (0.65) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL4673337 0.79 GAA (0.55) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL4452989 0.79 GAA (0.55) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL2682415 0.78 GAA (0.60) GAAMGAMSIMGAM2ALDH1A1

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
US-20210289794-A1 COMPOSITIONS AND RELATED METHODS FOR AGRICULTURE FLAGSHIP PIONEERING INNOVATIONS V, INC. 2021-09-23 US disclosed
US-7629494-B2 Process for producing cyclopropylphenol derivative MITSUI CHEMICALS AGRO, INC. (JP) 2009-12-08 US disclosed
US-20090054681-A1 Production Process of cyclopropylphenol derivatives SANKYO AGRO COMPANY, LIMITED (JP) 2009-02-26 US disclosed
EP-1880987-A1 PROCESS FOR PRODUCING CYCLOPROPYLPHENOL DERIVATIVE Sankyo Agro Company, Limited (JP) 2008-01-23 EP disclosed
US-4914206-A ANTIBIOTICS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1990-04-03 US disclosed
EP-0226896-A2 Lankacidin derivatives and production thereof Takeda Chemical Industries, Ltd. (JP) 1987-07-01 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 (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-20090054681-A1 Production Process of cyclopropylphenol derivatives CBR3, CYP4X1, CYP4A11 GAA 2856/4885MGAM 2511/4885SI 4274/4885

“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.