SCHEMBL17059409

SCHEMBL17059409

CC(=O)c1ccc(C(=O)O)cc1CCN

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 2/20 0.50
HTR1A P08908 3/20 0.46
HTR1D P28221 3/20 0.46
HTR1B P28222 2/20 0.46
HMGB1 P09429 1/20 0.42
HSD17B1 P14061 1/20 0.38
MYC P01106 1/20 0.38
GRM2 Q14416 1/20 0.38
KDM4E B2RXH2 3/20 0.38
HTT P42858 3/20 0.38
ALDH1A1 P00352 2/20 0.38
GAA P10253 2/20 0.38
TSHR P16473 2/20 0.38
RAB9A P51151 2/20 0.38
PKM P14618 1/20 0.38
MAPT P10636 1/20 0.37
THRB P10828 1/20 0.37
HPGD P15428 1/20 0.37
GFER P55789 1/20 0.37
PLEC Q15149 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
SCHEMBL17059420 0.87 HTR7 (0.50) HTR7HTR1AHTR1DHTR1BHMGB1
SCHEMBL26418103 0.86 HSD17B1 (0.40) HTR7HSD17B1MYCKDM4EHTT
SCHEMBL21937531 0.84 HTR7 (0.48) HTR7HTR1AHTR1DHTR1BHMGB1
SCHEMBL10936584 0.82 HSD17B1 (0.54) HSD17B1MYCKDM4EHTTALDH1A1
SCHEMBL27622429 0.80 HTR7 (0.57) HTR7HTR1AHTR1DHTR1BHMGB1
SCHEMBL9838470 0.79 TAAR1 (0.56) HTR1AHTR1DHTR1BHMGB1HSD17B1
SCHEMBL28422098 0.78 KDM4E (0.52) HTR7MYCKDM4EALDH1A1GAA
SCHEMBL11352213 0.78 KDM4E (0.54) HTR7HMGB1KDM4EALDH1A1RAB9A
SCHEMBL7596912 0.76 NEU3 (0.54) HTR7HTR1AHTR1DHTR1BKDM4E
SCHEMBL3708071 0.76 HTR7 (0.53) HTR7HTR1AHTR1DHTR1BHMGB1

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-20150246958-A1 BIOREVERSABLE PROMOIETIES FOR NITROGEN-CONTAINING AND HYDROXYL-CONTAINING DRUGS BAIKANG (SUZHOU) CO., LTD (CN) 2015-09-03 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-20150246958-A1 BIOREVERSABLE PROMOIETIES FOR NITROGEN-CONTAINING AND HYDROXYL-CONTAINING DRUGS NOS2, EGLN2, HPGD HTR7 427/4885HTR1A 716/4885HTR1D 1600/4885

“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.