SCHEMBL22010379

SCHEMBL22010379

COc1ccc(CCCC(=O)O)cc1Cl

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SELP P16109 1/20 0.54
PPARG P37231 3/20 0.52
PPARA Q07869 3/20 0.52
CYP1A2 P05177 1/20 0.50
PLAAT3 P53816 1/20 0.49
PLAAT5 Q96KN8 1/20 0.49
PLAAT2 Q9NWW9 1/20 0.49
PLAAT4 Q9UL19 1/20 0.49
HPGD P15428 1/20 0.49
CDK8 P49336 1/20 0.49
CLK4 Q9HAZ1 1/20 0.49
FFAR1 O14842 1/20 0.49
HSD17B10 Q99714 1/20 0.49
RXRA P19793 1/20 0.48
RXRB P28702 1/20 0.48
RXRG P48443 1/20 0.48
HDAC3 O15379 1/20 0.47
MAPK1 P28482 1/20 0.47
ADRA1A P35348 1/20 0.47
HDAC4 P56524 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
SCHEMBL30449227 1.00 SELP (0.54) SELPPPARGPPARACYP1A2PLAAT3
SCHEMBL1207379 0.92 FFAR1 (0.57) PPARGPPARAHPGDCDK8CLK4
Hydrochloric Acid SCHEMBL1375864 0.91 FFAR1 (0.56) PPARGPPARAHPGDCDK8CLK4
SCHEMBL503571 0.87 PLAAT3 (0.61) SELPPPARGPPARACYP1A2PLAAT3
SCHEMBL22010007 0.86 MEN1 (0.46) SELPPLAAT3PLAAT5PLAAT2PLAAT4
SCHEMBL8984890 0.86 SELP (0.55) SELPPPARGPPARACYP1A2PLAAT3
SCHEMBL1453516 0.84 HPGD (0.66) SELPPPARGPPARACYP1A2PLAAT3
SCHEMBL3686168 0.83 SELP (0.53) SELPPPARGPPARACYP1A2PLAAT3
SCHEMBL344964 0.83 PPARG (0.54) SELPPPARGPPARACYP1A2PLAAT3
SCHEMBL7095615 0.83 PPARA (0.59) SELPPPARGPPARAPLAAT3PLAAT5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116249691-A Bicyclic derivative regulator, preparation method and application thereof 上海翰森生物医药科技有限公司 2023-06-09 CN disclosed
US-20210077431-A1 N-(2-(SUBSTITUTED-NAPHTH-1-YL)ETHYL) SUBSTITUTED AMIDE COMPOUND, PREPARATION AND USES THEREOF BEIJING GREATWAY PHARMACEUTICAL TECHNOLOGY CO., LTD. (CN) 2021-03-18 US disclosed
EP-3653602-A1 N-(2-(SUBSTITUTED-NAPHTH-1-YL)ETHYL) SUBSTITUTED AMIDE COMPOUND, PREPARATION AND USES THEREOF Beijing Greatway Pharmaceutical Technology Co., Ltd. (CN) 2020-05-20 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-20210077431-A1 N-(2-(SUBSTITUTED-NAPHTH-1-YL)ETHYL) SUBSTITUTED AMIDE COMPOUND, PREPARATION AND USES THEREOF MTNR1A, HTR2C, MTNR1B SELP 1696/4885PPARG 395/4885PPARA 399/4885

“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.