SCHEMBL24323689

SCHEMBL24323689

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

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.56
▸ NPC1 O15118 2/20 0.56
▸ RAB9A P51151 2/20 0.56
▸ HPGD P15428 1/20 0.56
▸ ACHE P22303 4/20 0.52
▸ KDM4E B2RXH2 1/20 0.48
▸ MEN1 O00255 1/20 0.48
▸ KMT2A Q03164 1/20 0.48
▸ ABCB1 P08183 1/20 0.46
▸ SMPD1 P17405 1/20 0.45
▸ HDAC1 Q13547 1/20 0.45
▸ HDAC8 Q9BY41 1/20 0.45
▸ HDAC6 Q9UBN7 1/20 0.45
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ CYP1A2 P05177 1/20 0.44
▸ CYP3A4 P08684 1/20 0.44
▸ MAPT P10636 1/20 0.44
▸ CYP2C9 P11712 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44
▸ ATM Q13315 1/20 0.44

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
SCHEMBL23850838 0.89 SMN1; SMN2 (0.60) SMN1; SMN2NPC1RAB9AHPGDACHE
SCHEMBL23850841 0.89 SMN1; SMN2 (0.60) SMN1; SMN2NPC1RAB9AHPGDACHE
SCHEMBL24322285 0.86 ESR1 (0.58) SMN1; SMN2NPC1RAB9AHPGDACHE
SCHEMBL24322422 0.85 SMN1; SMN2 (0.53) SMN1; SMN2NPC1RAB9AHPGDACHE
SCHEMBL24322240 0.85 SMN1; SMN2 (0.52) SMN1; SMN2NPC1RAB9AHPGDACHE
SCHEMBL24323052 0.82 NPC1 (0.47) SMN1; SMN2NPC1RAB9AHPGDACHE
SCHEMBL23852035 0.76 ESR1 (0.60) SMN1; SMN2NPC1RAB9AHPGDKDM4E
SCHEMBL24322242 0.76 ESR1 (0.60) SMN1; SMN2NPC1RAB9AHPGDKDM4E
SCHEMBL23852037 0.76 ESR1 (0.60) SMN1; SMN2NPC1RAB9AHPGDKDM4E
SCHEMBL24322254 0.75 SMN1; SMN2 (0.56) SMN1; SMN2NPC1RAB9AHPGDACHE

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 SMN1; SMN2 2893/4885NPC1 1441/4885RAB9A 2472/4885

“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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