SCHEMBL1880576

SCHEMBL1880576

CC(C)(C)C=CC(=O)OCc1ccccc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 5/20 0.65
LMNA P02545 2/20 0.61
AKR1B10 O60218 2/20 0.56
AKR1B1 P15121 2/20 0.56
CA12 O43570 2/20 0.56
CA4 P22748 2/20 0.56
CA6 P23280 2/20 0.56
CA5A P35218 2/20 0.56
CA7 P43166 2/20 0.56
CA9 Q16790 2/20 0.56
CA14 Q9ULX7 2/20 0.56
CA5B Q9Y2D0 2/20 0.56
ALDH1A1 P00352 6/20 0.53
MAPK1 P28482 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
TTR P02766 1/20 0.51
POLB P06746 1/20 0.50
SLC6A2 P23975 1/20 0.47
SLC6A3 Q01959 1/20 0.47
KMT2A Q03164 1/20 0.47

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
SCHEMBL10705418 1.00 HCAR2 (0.65) HCAR2LMNAAKR1B10AKR1B1CA12
SCHEMBL26342112 0.89 HCAR2 (0.63) HCAR2LMNAAKR1B10AKR1B1CA12
SCHEMBL23343704 0.84 HCAR2 (0.67) HCAR2LMNAAKR1B10AKR1B1ALDH1A1
SCHEMBL357565 0.84 HCAR2 (0.89) HCAR2LMNAAKR1B10AKR1B1CA12
SCHEMBL337504 0.84 HCAR2 (0.89) HCAR2LMNAAKR1B10AKR1B1CA12
SCHEMBL337503 0.84 HCAR2 (0.89) HCAR2LMNAAKR1B10AKR1B1CA12
SCHEMBL26340997 0.83 HCAR2 (0.65) HCAR2LMNAAKR1B10AKR1B1CA12
SCHEMBL4965299 0.83 HCAR2 (0.65) HCAR2LMNAAKR1B10AKR1B1CA12
SCHEMBL26341007 0.83 HCAR2 (0.65) HCAR2LMNAAKR1B10AKR1B1CA12
SCHEMBL28745119 0.83 HCAR2 (0.59) HCAR2LMNAAKR1B10AKR1B1CA12

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 10 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-0126974-B1 CARBOXYALKYL PEPTIDE DERIVATIVES G.D. Searle & Co. (US) 1988-06-15 EP disclosed
US-4568666-A COLLAGENASE INHIBITORS, ANTIARTJRITIC AGENTS G. D. SEARLE & CO. (US) 1986-02-04 US disclosed
US-4511504-A COLLAGENASE INHIBITORS G.D. SEARLE & CO. (US) 1985-04-16 US disclosed
EP-0126974-A1 Carboxyalkyl peptide derivatives G.D. Searle & Co. (US) 1984-12-05 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 HCAR2 122/4885LMNA 788/4885AKR1B10 74/4885
US-20090111999-A1 PROCESS FOR PRODUCING AN AROMATIC UNSATURATED COMPOUND AHR, AR, ARSA HCAR2 122/4885LMNA 788/4885AKR1B10 74/4885

“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.