SCHEMBL24323052

SCHEMBL24323052

COc1cc(C(=O)COc2ccc(/C(=C(\C)c3ccccc3)c3ccc(OCC4COC(C)(C)O4)cc3)cc2)ccc1OCc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 3/20 0.47
▸ RAB9A P51151 3/20 0.47
▸ HPGD P15428 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ ACHE P22303 3/20 0.45
▸ KDM4E B2RXH2 1/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ ABCB1 P08183 2/20 0.40
▸ PKM P14618 1/20 0.39
▸ MRGPRX4 Q96LA9 1/20 0.39
▸ HIF1A Q16665 2/20 0.39
▸ SMPD1 P17405 1/20 0.38
▸ HDAC1 Q13547 1/20 0.38
▸ HDAC8 Q9BY41 1/20 0.38
▸ HDAC6 Q9UBN7 1/20 0.38
▸ EPAS1 Q99814 1/20 0.38

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
SCHEMBL23852543 0.92 NPC1 (0.50) NPC1RAB9AHPGDSMN1; SMN2ACHE
SCHEMBL23852546 0.92 NPC1 (0.50) NPC1RAB9AHPGDSMN1; SMN2ACHE
SCHEMBL24323055 0.92 NPC1 (0.50) NPC1RAB9AHPGDSMN1; SMN2ACHE
SCHEMBL24322239 0.88 NPC1 (0.46) NPC1RAB9AHPGDSMN1; SMN2ACHE
SCHEMBL24323689 0.82 SMN1; SMN2 (0.56) NPC1RAB9AHPGDSMN1; SMN2ACHE
SCHEMBL24322285 0.79 ESR1 (0.58) NPC1RAB9AHPGDSMN1; SMN2ACHE
SCHEMBL24323676 0.78 ESR1 (0.54) KDM4EMEN1KMT2AHIF1A
SCHEMBL24322422 0.78 SMN1; SMN2 (0.53) NPC1RAB9AHPGDSMN1; SMN2ACHE
SCHEMBL2592303 0.74 TSHR (0.53) NPC1RAB9ASMN1; SMN2KDM4EMEN1
SCHEMBL2585610 0.74 TSHR (0.53) NPC1RAB9ASMN1; SMN2KDM4EMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220089600-A1 TGFß INHIBITOR AND PRODRUGS FUNDACIÓ INSTITUT DE RECERCA BIOMÈDICA (IRB BARCELONA) (ES) 2022-03-24 — — 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 (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-20220089600-A1 TGFß INHIBITOR AND PRODRUGS TGFB1, TGFBR1, TGFBR2 NPC1 1441/4885RAB9A 2472/4885HPGD 866/4885

“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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