SCHEMBL31453046

SCHEMBL31453046

Cc1c(C(=O)O)oc2ccc(NCCCc3ccc(CCl)cc3)cc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MCL1 Q07820 3/20 0.49
▸ ALDH1A1 P00352 3/20 0.45
▸ KDM4E B2RXH2 1/20 0.45
▸ NPC1 O15118 2/20 0.44
▸ RAB9A P51151 2/20 0.44
▸ GAA P10253 2/20 0.43
▸ BCL2L1 Q07817 1/20 0.43
▸ NR1H4 Q96RI1 1/20 0.42
▸ HPGD P15428 4/20 0.42
▸ HSD17B10 Q99714 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.42
▸ CYP1A2 P05177 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ CYP2D6 P10635 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ RECQL P46063 1/20 0.41
▸ PTGDR2 Q9Y5Y4 1/20 0.41
▸ GPR35 Q9HC97 1/20 0.40
▸ MEN1 O00255 1/20 0.40

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 0.90 NPC1 (0.54) MCL1ALDH1A1KDM4ENPC1RAB9A
SCHEMBL26602407 0.90 NPC1 (0.54) MCL1ALDH1A1KDM4ENPC1RAB9A
SCHEMBL31453044 0.87 HIF1A (0.50) MCL1ALDH1A1KDM4ENPC1RAB9A
SCHEMBL31453066 0.87 ALDH1A1 (0.48) MCL1ALDH1A1KDM4ENPC1RAB9A
SCHEMBL31453037 0.84 MCL1 (0.55) MCL1ALDH1A1KDM4ENPC1RAB9A
SCHEMBL31453054 0.84 KMT2A (0.48) MCL1ALDH1A1KDM4ENPC1RAB9A
SCHEMBL31453040 0.82 GAA (0.48) MCL1ALDH1A1KDM4ENPC1RAB9A
SCHEMBL31453051 0.81 NPC1 (0.56) ALDH1A1KDM4ENPC1RAB9AGAA
SCHEMBL31453036 0.81 MCL1 (0.50) MCL1ALDH1A1KDM4ENPC1RAB9A
SCHEMBL31453035 0.80 NPC1 (0.57) ALDH1A1NPC1RAB9AGAANR1H4

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 4320/4885ALDH1A1 2883/4885KDM4E 2151/4885

“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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