SCHEMBL24322241

SCHEMBL24322241

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

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.52
▸ NPC1 O15118 1/20 0.52
▸ HPGD P15428 1/20 0.52
▸ RAB9A P51151 1/20 0.52
▸ ACHE P22303 3/20 0.51
▸ KDM4E B2RXH2 1/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ POLB P06746 1/20 0.44
▸ SMPD1 P17405 1/20 0.44
▸ HDAC1 Q13547 1/20 0.44
▸ HDAC8 Q9BY41 1/20 0.44
▸ HDAC6 Q9UBN7 1/20 0.44
▸ ABCB1 P08183 1/20 0.43
▸ CYP1A2 P05177 2/20 0.42
▸ AGTR1 P30556 1/20 0.42
▸ LMNA P02545 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ MAPT P10636 1/20 0.41

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
SCHEMBL24322422 0.85 SMN1; SMN2 (0.53) SMN1; SMN2NPC1HPGDRAB9AACHE
SCHEMBL23851293 0.84 SMN1; SMN2 (0.56) SMN1; SMN2NPC1HPGDRAB9AACHE
SCHEMBL23851294 0.84 SMN1; SMN2 (0.56) SMN1; SMN2NPC1HPGDRAB9AACHE
SCHEMBL24322254 0.84 SMN1; SMN2 (0.56) SMN1; SMN2NPC1HPGDRAB9AACHE
SCHEMBL24322414 0.83 CYP2D6 (0.59) SMN1; SMN2NPC1HPGDRAB9AACHE
SCHEMBL24322239 0.78 NPC1 (0.46) SMN1; SMN2NPC1HPGDRAB9AACHE
SCHEMBL24323689 0.72 SMN1; SMN2 (0.56) SMN1; SMN2NPC1HPGDRAB9AACHE
SCHEMBL2743809 0.71 MEN1 (0.63) SMN1; SMN2NPC1HPGDRAB9AKDM4E
SCHEMBL30989216 0.71 MEN1 (0.63) SMN1; SMN2NPC1HPGDRAB9AKDM4E
SCHEMBL17908100 0.71 TSHR (0.64) RAB9AKDM4EMEN1KMT2APOLB

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 1441/4885HPGD 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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