SCHEMBL7367131

SCHEMBL7367131

COc1cc(CC(=O)O)cc(OC)c1C

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.61
TSHR P16473 2/20 0.61
ALDH1A1 P00352 1/20 0.61
NFKB1 P19838 1/20 0.61
TDP1 Q9NUW8 1/20 0.61
CA5A P35218 1/20 0.53
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
RXFP1 Q9HBX9 1/20 0.49
LPAR1 Q92633 4/20 0.48
LPAR2 Q9HBW0 1/20 0.48
HSD17B10 Q99714 2/20 0.47
PTGS1 P23219 1/20 0.47
AKR1C3 P42330 1/20 0.47
AKR1C2 P52895 1/20 0.47
NPSR1 Q6W5P4 1/20 0.46
ALOX15 P16050 1/20 0.44
SELL P14151 1/20 0.43
SELP P16109 1/20 0.43
THRB P10828 1/20 0.43

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
SCHEMBL26729956 0.91 GAA (0.56) GAATSHRALDH1A1NFKB1TDP1
SCHEMBL1278855 0.84 GAA (0.66) GAATSHRALDH1A1NFKB1TDP1
SCHEMBL499116 0.84 GAA (0.61) GAATSHRALDH1A1NFKB1TDP1
Hydrochloric Acid SCHEMBL4002124 0.82 GAA (0.59) GAATSHRALDH1A1NFKB1TDP1
SCHEMBL12777001 0.82 ALDH1A1 (0.48) GAATSHRALDH1A1NFKB1TDP1
SCHEMBL13586551 0.82 GAA (0.58) GAATSHRALDH1A1NFKB1TDP1
SCHEMBL11157934 0.82 GAA (0.54) GAATSHRALDH1A1NFKB1TDP1
SCHEMBL3675317 0.81 ALOX5 (0.51) GAATSHRALDH1A1NFKB1TDP1
SCHEMBL31103566 0.81 GAA (0.67) GAATSHRALDH1A1NFKB1TDP1
SCHEMBL8072165 0.81 GAA (0.67) GAATSHRALDH1A1NFKB1TDP1

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-20190119200-A1 TERTIARY AMIDES AND METHOD OF USE ABBVIE PHARMACEUTICAL TRADING (SHANGHAI) CO., LTD. (CN) 2019-04-25 US disclosed
WO-2017177004-A1 TERTIARY AMIDES AND METHOD OF USE ABBVIE INC. (US) 2017-10-12 WO disclosed
EP-0781126-B1 DERIVATIVES OF 2-AMINO-1,2,3,4-TETRAHYDRO-NAPHTHALENE ACTIVE ON THE CARDIOVASCULAR SYSTEM ZAMBON SPA (IT) 2001-12-12 EP disclosed
US-5674909-A FOR TREATMENT OF CARDIOVASCULAR DISORDERS ZAMBON GROUP (IT) 1997-10-07 US disclosed
EP-0781126-A2 DERIVATIVES OF 2-AMINO-1,2,3,4-TETRAHYDRO-NAPHTHALENE ACTIVE ON THE CARDIOVASCULAR SYSTEM ZAMBON GROUP S.p.A. (IT) 1997-07-02 EP disclosed
WO-1996008228-A2 DERIVATIVES OF 2-AMINO-1,2,3,4-TETRAHYDRO-NAPHTHALENE ACTIVE ON THE CARDIOVASCULAR SYSTEM ZAMBON GROUP S.P.A. (IT) 1996-03-21 WO 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-20190119200-A1 TERTIARY AMIDES AND METHOD OF USE LPAR1, LPAR3, LPAR2 GAA 1458/4885TSHR 284/4885ALDH1A1 328/4885

“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.