SCHEMBL8940032

SCHEMBL8940032

COc1cc2c(c(C(=O)O)c1)OC(C)(C)C2

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.38
IDO1 P14902 1/20 0.38
LMNA P02545 2/20 0.37
PKM P14618 2/20 0.37
NPSR1 Q6W5P4 1/20 0.37
ALDH1A1 P00352 1/20 0.37
MAPT P10636 1/20 0.37
KMT2A Q03164 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
CDC25B P30305 1/20 0.36
FFAR4 Q5NUL3 1/20 0.35

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
SCHEMBL12036049 0.87 LMNA (0.39) LMNAPKMNPSR1ALDH1A1MAPT
SCHEMBL12056192 0.83 PTGS1 (0.37) LMNAPKMNPSR1ALDH1A1MAPT
SCHEMBL8939958 0.80 LMNA (0.39) IDO1LMNAPKMNPSR1ALDH1A1
SCHEMBL2432528 0.79 FFAR4 (0.49) LMNAPKMNPSR1ALDH1A1MAPT
SCHEMBL14292128 0.79 LMNA (0.39) IDO1LMNAPKMNPSR1ALDH1A1
SCHEMBL2993353 0.79 ALDH1A1 (0.46) LMNAPKMNPSR1ALDH1A1MAPT
SCHEMBL2434136 0.79 LMNA (0.39) IDO1LMNAPKMNPSR1ALDH1A1
SCHEMBL14683708 0.78 LMNA (0.41) LMNAPKMNPSR1ALDH1A1MAPT
Hydrochloric Acid SCHEMBL7626508 0.78 FFAR4 (0.48) LMNAPKMNPSR1ALDH1A1MAPT
SCHEMBL10805819 0.77 LMNA (0.36) LMNAPKMNPSR1ALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8476308-B2 GPR120 receptor agonists and uses thereof METABOLEX, INC. (US) 2013-07-02 US disclosed
US-20130109734-A1 GPR120 RECEPTOR AGONISTS AND USES THEREOF METABOLEX, INC. (US) 2013-05-02 US disclosed
US-8299117-B2 GPR120 receptor agonists and uses thereof METABOLEX INC. (US) 2012-10-30 US disclosed
US-20110313003-A1 GPR120 RECEPTOR AGONISTS AND USES THEREOF METABOLEX, INC. 2011-12-22 US disclosed
US-5563148-A BICYCLIC ESTERS OR AMIDES; USED IN TREATING MIGRAINE, EMESIS, GASTROINTESTINAL DISORDERS, SCHIZOPHRENIA OR ANXIETY IN MAMMALS ELI LILLY AND COMPANY (US) 1996-10-08 US disclosed
EP-0307172-B1 Improvements in or relating to specific 5-HT3 antagonists LILLY CO ELI (US) 1995-10-11 EP disclosed
US-5442078-A Intermediates for specific 5-HT3 antagonists ELI LILLY AND COMPANY (US) 1995-08-15 US disclosed
US-5364863-A Treatment of migraine, emesis, schizophrenia, anxiety, gastrointestinal disorders ELI LILLY AND COMPANY (US) 1994-11-15 US disclosed
US-4997956-A Analgesics ELI LILLY AND COMPANY (US) 1991-03-05 US disclosed
US-4921982-A 5-halo-2,3-dihydro-2,2-dimethylbenzofuran-7-carboxylic acids useful as intermediates for 5-HT3 antagonists ELI LILLY AND COMPANY (US) 1990-05-01 US disclosed
EP-0307172-A2 Improvements in or relating to specific 5-HT3 antagonists ELI LILLY AND COMPANY (US) 1989-03-15 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-20110313003-A1 GPR120 RECEPTOR AGONISTS AND USES THEREOF GPR119, GPR52, GCGR SMN1; SMN2 3326/4885IDO1 4003/4885LMNA 4018/4885
US-20130109734-A1 GPR120 RECEPTOR AGONISTS AND USES THEREOF GPR119, GPR52, GCGR SMN1; SMN2 3326/4885IDO1 4003/4885LMNA 4018/4885

“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.