SCHEMBL22436202

SCHEMBL22436202

CCCC(CC)Nc1ccc(C(=O)O)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HCAR3 P49019 3/20 0.49
▸ HCAR2 Q8TDS4 1/20 0.49
▸ TAS1R3 Q7RTX0 9/20 0.47
▸ TAS1R1 Q7RTX1 9/20 0.47
▸ ALDH1A1 P00352 2/20 0.43
▸ HTT P42858 1/20 0.41
▸ TDP1 Q9NUW8 2/20 0.41
▸ HSD17B10 Q99714 2/20 0.41
▸ TP53 P04637 1/20 0.41
▸ HSP90AA1 P07900 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ THRB P10828 1/20 0.41
▸ ALOX15 P16050 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ CASP1 P29466 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ HIF1A Q16665 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ HDAC1 Q13547 1/20 0.41
▸ MAPT P10636 1/20 0.41

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
SCHEMBL31572051 0.93 TAS1R3 (0.46) HCAR3HCAR2TAS1R3TAS1R1ALDH1A1
SCHEMBL31572049 0.90 HCAR3 (0.58) HCAR3HCAR2ALDH1A1HTTTDP1
SCHEMBL22150092 0.89 HCAR3 (0.46) HCAR3HCAR2ALDH1A1TP53TSHR
SCHEMBL31572043 0.83 RARB (0.46) HCAR3HCAR2ALDH1A1TP53TSHR
SCHEMBL31572052 0.81 ALDH1A1 (0.52) HCAR3ALDH1A1TDP1HSD17B10TP53
SCHEMBL31572047 0.79 ALDH1A1 (0.69) HCAR3HCAR2ALDH1A1HTTTDP1
SCHEMBL10889654 0.78 TDP1 (0.46) ALDH1A1TDP1HSD17B10TP53HSP90AA1
SCHEMBL10391744 0.77 ALDH1A1 (0.47) HCAR3HCAR2ALDH1A1HTTTDP1
SCHEMBL9335481 0.77 MAPK1 (0.53) HTTHSD17B10TP53ALOX15TSHR
SCHEMBL26545301 0.77 ALDH1A1 (0.43) TAS1R3TAS1R1ALDH1A1HTTTDP1

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
WO-2025086591-A1 ROTIGOTINE PRODRUG DERIVATIVE, PHARMACEUTICAL COMPOSITION THEREOF AND USE THEREOF 烟台药物研究所 2025-05-01 — — WO disclosed
US-11220486-B2 Inhibitors of low molecular weight protein tyrosine phosphatase and uses thereof LA JOLLA INSTITUTE OF ALLERGY & IMMUNOLOGY (US) 2022-01-11 — — US disclosed
US-20200290977-A1 Inhibitors of Low Molecular Weight Protein Tyrosine Phosphatase and Uses Thereof LA JOLLA INSTITUTE OF ALLERGY & IMMUNOLOGY 2020-09-17 — — 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-11220486-B2 Inhibitors of low molecular weight protein tyrosine phosphatase and uses thereof ACP1, PTPRCAP, PTPA HCAR3 4350/4885HCAR2 4144/4885TAS1R3 4192/4885
US-20200290977-A1 Inhibitors of Low Molecular Weight Protein Tyrosine Phosphatase and Uses Thereof ACP1, PTPRCAP, PTPA HCAR3 4350/4885HCAR2 4144/4885TAS1R3 4192/4885

“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.

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