SCHEMBL31453044

SCHEMBL31453044

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

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ HIF1A Q16665 4/20 0.50
▸ MCHR1 Q99705 1/20 0.48
▸ MCL1 Q07820 1/20 0.44
▸ ALDH1A1 P00352 2/20 0.44
▸ KDM4E B2RXH2 1/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ GAA P10253 2/20 0.42
▸ FFAR1 O14842 1/20 0.41
▸ NR1H4 Q96RI1 1/20 0.41
▸ HPGD P15428 2/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ TP53 P04637 1/20 0.40
▸ POLB P06746 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ NPSR1 Q6W5P4 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 0.88 NPC1 (0.54) MCL1ALDH1A1KDM4ENPC1RAB9A
SCHEMBL26602407 0.88 NPC1 (0.54) MCL1ALDH1A1KDM4ENPC1RAB9A
SCHEMBL31453046 0.87 MCL1 (0.49) MCL1ALDH1A1KDM4ENPC1RAB9A
SCHEMBL31453066 0.87 ALDH1A1 (0.48) MCL1ALDH1A1KDM4ENPC1RAB9A
SCHEMBL31453054 0.82 KMT2A (0.48) HIF1AMCL1ALDH1A1KDM4ENPC1
SCHEMBL31453040 0.80 GAA (0.48) MCL1ALDH1A1KDM4ENPC1RAB9A
SCHEMBL31453037 0.80 MCL1 (0.55) HIF1AMCL1ALDH1A1KDM4ENPC1
SCHEMBL17179760 0.80 MCL1 (0.61) HIF1AMCL1ALDH1A1KDM4EGAA
SCHEMBL31453051 0.80 NPC1 (0.56) ALDH1A1KDM4ENPC1RAB9AGAA
SCHEMBL26603338 0.79 ALDH1A1 (0.64) HIF1AALDH1A1KDM4EGAANR1H4

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 HIF1A 2493/4885MCHR1 154/4885MCL1 4320/4885

“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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