SCHEMBL31453030

SCHEMBL31453030

C#CCCCNc1ccc2oc(C(=O)O)c(C)c2c1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MCL1 Q07820 2/20 0.49
▸ KDM4E B2RXH2 2/20 0.47
▸ HPGD P15428 3/20 0.44
▸ GAA P10253 2/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ NPSR1 Q6W5P4 1/20 0.44
▸ GPR35 Q9HC97 1/20 0.43
▸ ALDH1A1 P00352 4/20 0.43
▸ HIF1A Q16665 3/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ F11 P03951 1/20 0.40
▸ KCNH2 Q12809 1/20 0.39
▸ TSHR P16473 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
SCHEMBL31453060 0.81 NPC1 (0.54) MCL1KDM4EHPGDGAASMN1; SMN2
SCHEMBL26602407 0.81 NPC1 (0.54) MCL1KDM4EHPGDGAASMN1; SMN2
SCHEMBL31453049 0.81 MCL1 (0.49) MCL1KDM4EHPGDGAASMN1; SMN2
SCHEMBL31453063 0.80 GAA (0.44) MCL1KDM4EHPGDGAASMN1; SMN2
SCHEMBL26602252 0.80 ALDH1A1 (0.47) MCL1KDM4EHPGDGAASMN1; SMN2
SCHEMBL30621957 0.80 ALDH1A1 (0.47) MCL1KDM4EHPGDGAASMN1; SMN2
SCHEMBL31453061 0.79 MCL1 (0.46) MCL1KDM4EHPGDGAASMN1; SMN2
SCHEMBL31453066 0.79 ALDH1A1 (0.48) MCL1KDM4EHPGDGAASMN1; SMN2
SCHEMBL31453046 0.79 MCL1 (0.49) MCL1KDM4EHPGDGAASMN1; SMN2
SCHEMBL31453054 0.78 KMT2A (0.48) MCL1KDM4EHPGDGAASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250275958-A1 GPCR REGULATOR AND USE THEREOF Beijing Changping Laboratory (CN) 2025-09-04 — — US disclosed
EP-4512803-A1 GPCR REGULATOR AND USE THEREOF Beijing Changping Laboratory (CN) 2025-02-26 — — 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-20250275958-A1 GPCR REGULATOR AND USE THEREOF ARRB1, GPR3, GPR4 MCL1 4320/4885KDM4E 2151/4885HPGD 1719/4885

“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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