SCHEMBL30046491

SCHEMBL30046491

COc1ccc(COc2ccc3cc(C(=O)O)ccc3n2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 2/20 0.59
▸ SMN1; SMN2 Q16637 2/20 0.59
▸ NPC1 O15118 1/20 0.59
▸ POLB P06746 1/20 0.59
▸ KDM4E B2RXH2 1/20 0.54
▸ PLA2G4B P0C869 1/20 0.53
▸ MAOB P27338 1/20 0.52
▸ MRGPRX4 Q96LA9 3/20 0.51
▸ TP53 P04637 1/20 0.51
▸ PKM P14618 1/20 0.51
▸ NFKB1 P19838 1/20 0.51
▸ NFKB2 Q00653 1/20 0.51
▸ RELA Q04206 1/20 0.51
▸ RXFP1 Q9HBX9 1/20 0.51
▸ KDM5A P29375 1/20 0.49
▸ KDM4C Q9H3R0 1/20 0.49
▸ KDM5B Q9UGL1 1/20 0.49
▸ PPARA Q07869 1/20 0.48
▸ ALDH1A1 P00352 1/20 0.46
▸ MAPT P10636 1/20 0.46

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
SCHEMBL31723052 0.83 PDE2A (0.47) RAB9ASMN1; SMN2NPC1POLBMAOB
SCHEMBL12076388 0.82 RAB9A (0.68) RAB9ASMN1; SMN2NPC1POLBKDM4E
SCHEMBL23692893 0.81 RAB9A (0.67) RAB9ASMN1; SMN2NPC1POLBKDM4E
SCHEMBL30251641 0.80 KDM4E (0.57) RAB9ASMN1; SMN2NPC1POLBKDM4E
SCHEMBL7266145 0.80 KDM4E (0.57) RAB9ASMN1; SMN2NPC1POLBKDM4E
SCHEMBL1254744 0.79 RAB9A (0.68) RAB9ASMN1; SMN2NPC1POLBPLA2G4B
SCHEMBL30350652 0.79 RAB9A (0.68) RAB9ASMN1; SMN2NPC1POLBPLA2G4B
SCHEMBL20377582 0.79 MAOB (0.75) RAB9ASMN1; SMN2NPC1POLBPLA2G4B
SCHEMBL1643163 0.79 MAPT (0.58) RAB9ASMN1; SMN2NPC1POLBKDM4E
SCHEMBL18109863 0.78 KDM4E (0.45) RAB9ASMN1; SMN2NPC1POLBKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12103921-B2 Chemical compounds PFIZER INC. (US) 2024-10-01 — — US disclosed
US-20230382892-A1 Chemical Compounds PFIZER INC. (US) 2023-11-30 — — US disclosed
US-11702405-B2 Chemical compounds PFIZER INC. (US) 2023-07-18 — — US disclosed
US-20220348555-A1 Chemical Compounds PFIZER INC. (US) 2022-11-03 — — 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 (4 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-11702405-B2 Chemical compounds HBZ, HBB, HBS1L RAB9A 1684/4885SMN1; SMN2 447/4885NPC1 2812/4885
US-20230382892-A1 Chemical Compounds HBZ, HBB, HBS1L RAB9A 1684/4885SMN1; SMN2 447/4885NPC1 2812/4885
US-12103921-B2 Chemical compounds HBZ, HBB, HBS1L RAB9A 1684/4885SMN1; SMN2 447/4885NPC1 2812/4885
US-20220348555-A1 Chemical Compounds HBZ, HBB, HBS1L RAB9A 1684/4885SMN1; SMN2 447/4885NPC1 2812/4885

“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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