SCHEMBL23701749

SCHEMBL23701749

O=C(O)CCc1c[nH]c2ccc(-c3cc4ccccc4s3)cc12

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.53
CYP2C19 P33261 1/20 0.53
SERPINE1 P05121 2/20 0.44
HTR1D P28221 6/20 0.44
HTR1B P28222 6/20 0.44
APP P05067 2/20 0.42
MPO P05164 1/20 0.41
ERN1 O75460 1/20 0.41
HDAC2 Q92769 1/20 0.41
ICMT O60725 1/20 0.41
HTR7 P34969 1/20 0.39
GPR17 Q13304 1/20 0.39
ALDH1A1 P00352 1/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39

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
SCHEMBL23701760 0.89 TSHR (0.52) HPGDSERPINE1HTR1DHTR1BAPP
Hydrochloric Acid SCHEMBL7305586 0.83 HTR1D (0.61) HTR1DHTR1BMPOHTR7MAPT
SCHEMBL21392213 0.81 HPGD (0.66) HPGDCYP2C19MPOICMT
SCHEMBL23718992 0.81 ICMT (0.47) APPERN1HDAC2ICMTALDH1A1
SCHEMBL15331971 0.74 ERN1 (0.59) CYP2C19APPERN1HDAC2ALDH1A1
SCHEMBL12537274 0.73 TLR2 (0.41) CYP2C19HDAC2ICMTALDH1A1GAA
SCHEMBL23226253 0.72 HPGD (0.61) HPGDCYP2C19HTR1DHTR1BMPO
SCHEMBL12562528 0.72 TLR2 (0.41) CYP2C19HDAC2ICMTALDH1A1MAPT
Indolylpropionic Acid SCHEMBL195405 0.72 MAPT (0.68) HPGDCYP2C19HTR1DHTR1BMPO
Indolylpropionic Acid SCHEMBL29521227 0.72 MAPT (0.68) HPGDCYP2C19HTR1DHTR1BMPO

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210235697-A1 PLANT GROWTH REGULATOR UNIVERSITY OF WASHINGTON (US) 2021-08-05 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 (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-20210235697-A1 PLANT GROWTH REGULATOR ING2, GHRHR, MYB HPGD 3249/4885CYP2C19 2790/4885SERPINE1 4121/4885

“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.