SCHEMBL2018865

SCHEMBL2018865

Cc1c(C(=O)O)cccc1[C@@H]1C[C@@H](O)[C@@H](O)C1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.42
ALDH1A1 P00352 6/20 0.41
KDM4E B2RXH2 2/20 0.41
HSD17B10 Q99714 2/20 0.41
HPGD P15428 2/20 0.41
CASR P41180 1/20 0.38
NR4A1 P22736 1/20 0.38
NR4A2 P43354 1/20 0.38
NR4A3 Q92570 1/20 0.38
LMNA P02545 2/20 0.38
MYC P01106 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
ALOX15 P16050 1/20 0.38
MAPT P10636 1/20 0.38
NOTUM Q6P988 1/20 0.37
DDB1 Q16531 1/20 0.37
CRBN Q96SW2 1/20 0.37
MEN1 O00255 1/20 0.37
AKR1B10 O60218 1/20 0.37
TRPA1 O75762 1/20 0.37

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
SCHEMBL2517988 0.85 TSHR (0.41) TSHRALDH1A1KDM4EHSD17B10HPGD
SCHEMBL4969775 0.84 NOTUM (0.49) TSHRALDH1A1KDM4EHSD17B10HPGD
SCHEMBL8487411 0.83 TSHR (0.45) TSHRALDH1A1KDM4EHSD17B10HPGD
SCHEMBL13646083 0.78 HTR2C (0.61) NOTUM
SCHEMBL28048303 0.76 TSHR (0.52) TSHRALDH1A1KDM4EHSD17B10HPGD
Hydrogen Sulfide SCHEMBL27367166 0.75 TSHR (0.59) TSHRALDH1A1KDM4EHSD17B10HPGD
SCHEMBL5257015 0.75 TSHR (0.39) TSHRALDH1A1KDM4EHSD17B10HPGD
SCHEMBL756585 0.73 TSHR (0.61) TSHRALDH1A1KDM4EHSD17B10HPGD
Benzene SCHEMBL27265959 0.73 TSHR (0.61) TSHRALDH1A1KDM4EHSD17B10HPGD
SCHEMBL27703149 0.73 TSHR (0.61) TSHRALDH1A1KDM4EHSD17B10HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9452977-B2 Cyclopentylacrylamide derivative KYORIN PHARMACEUTICAL CO., LTD. (JP) 2016-09-27 US disclosed
US-20150105581-A1 CYCLOPENTYLACRYLAMIDE DERIVATIVE TEIJIN LIMITED (JP) 2015-04-16 US disclosed
US-8946440-B2 Cyclopentylacrylamide derivative KYORIN PHARMACEUTICAL CO., LTD. (JP) 2015-02-03 US disclosed
US-20110160211-A1 CYCLOPENTYLACRYLAMIDE DERIVATIVE TEIJIN LIMITED (JP) 2011-06-30 US 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-20110160211-A1 CYCLOPENTYLACRYLAMIDE DERIVATIVE GPR119, SLC5A1, SLC5A2 TSHR 1677/4885ALDH1A1 606/4885KDM4E 2516/4885
US-20150105581-A1 CYCLOPENTYLACRYLAMIDE DERIVATIVE GPR119, SLC5A1, SLC5A2 TSHR 1677/4885ALDH1A1 606/4885KDM4E 2516/4885

“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.