SCHEMBL23380258

SCHEMBL23380258

CC(C)c1cccc(C2CCC(C(=O)O)CC2)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NOTUM Q6P988 2/20 0.52
▸ NPC1 O15118 1/20 0.50
▸ RAB9A P51151 1/20 0.50
▸ AKR1C3 P42330 1/20 0.49
▸ AKR1C1 Q04828 1/20 0.49
▸ PDE4A P27815 1/20 0.44
▸ PDE4B Q07343 1/20 0.44
▸ PDE4C Q08493 1/20 0.44
▸ PDE4D Q08499 1/20 0.44
▸ MGLL Q99685 5/20 0.42
▸ KMO O15229 1/20 0.42
▸ ADAM10 O14672 3/20 0.41
▸ MMP2 P08253 1/20 0.41
▸ ROCK2 O75116 1/20 0.41
▸ PRKG1 Q13976 1/20 0.41
▸ RXRA P19793 1/20 0.41
▸ RXRB P28702 1/20 0.41
▸ RXRG P48443 1/20 0.41
▸ SOS1 Q07889 1/20 0.41
▸ ERBB2 P04626 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
SCHEMBL26816768 0.88 NOTUM (0.43) NOTUMAKR1C3AKR1C1MGLLKMO
SCHEMBL23381188 0.86 NOTUM (0.50) NOTUMAKR1C3AKR1C1MGLLADAM10
SCHEMBL15566600 0.85 HTR2C (0.43) NOTUMMGLLKMOADAM10MMP2
SCHEMBL25619706 0.81 MGLL (0.38) NOTUMMGLLKMOADAM10MMP2
SCHEMBL6388862 0.79 ESR2 (0.43) NOTUMMGLLADAM10MMP2SOS1
SCHEMBL7634263 0.79 HDAC4 (0.47) KMOADAM10MMP2ERBB2KDM4E
SCHEMBL27754753 0.78 KMO (0.42) NOTUMKMOROCK2PRKG1KDM4E
SCHEMBL25996817 0.77 SOS1 (0.36) NOTUMMGLLADAM10MMP2ROCK2
SCHEMBL5667630 0.77 KMO (0.49) KMOADAM10MMP2ROCK2ERBB2
SCHEMBL5670914 0.77 QDPR (0.57) NOTUMADAM10MMP2SOS1ERBB2

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
US-20230357214-A1 NOVEL LXR MODULATORS WITH BICYCLIC CORE MOIETY PHENEX PHARMACEUTICALS AKTIENGESELLSCHAFT (DE) 2023-11-09 — — US disclosed
EP-3814331-B1 NOVEL LXR MODULATORS WITH BICYCLIC CORE MOIETY ORSOBIO INC (US) 2023-06-14 — — EP disclosed
US-20210147398-A1 NOVEL LXR MODULATORS WITH BICYCLIC CORE MOIETY PHENEX-FXR GMBH (DE) 2021-05-20 — — 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-20210147398-A1 NOVEL LXR MODULATORS WITH BICYCLIC CORE MOIETY NR1H2, NR1H3, NR1H4 NOTUM 2359/4885NPC1 259/4885RAB9A 3083/4885
US-20230357214-A1 NOVEL LXR MODULATORS WITH BICYCLIC CORE MOIETY NR1H2, NR1H3, NR1H4 NOTUM 2359/4885NPC1 259/4885RAB9A 3083/4885

“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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