SCHEMBL7357540

SCHEMBL7357540

COc1cccc(C=O)c1OCCO

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 1/20 0.59
▸ RAB9A P51151 1/20 0.59
▸ SRC P12931 1/20 0.57
▸ L3MBTL1 Q9Y468 2/20 0.55
▸ TSHR P16473 1/20 0.55
▸ ERN1 O75460 3/20 0.54
▸ TLR2 O60603 1/20 0.54
▸ TLR1 Q15399 1/20 0.54
▸ TLR6 Q9Y2C9 1/20 0.54
▸ SMN1; SMN2 Q16637 3/20 0.51
▸ CA1 P00915 1/20 0.50
▸ CA2 P00918 1/20 0.50
▸ ALDH1A1 P00352 4/20 0.47
▸ HPGD P15428 2/20 0.47
▸ HTT P42858 1/20 0.47
▸ NFE2L2 Q16236 2/20 0.47
▸ MAPK1 P28482 1/20 0.43
▸ LMNA P02545 2/20 0.43
▸ GAA P10253 1/20 0.43
▸ MAPT P10636 1/20 0.43

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
SCHEMBL637742 0.87 NPC1 (0.61) NPC1RAB9ASRCL3MBTL1TSHR
SCHEMBL7360395 0.86 ALDH1A1 (0.46) NPC1RAB9ASRCL3MBTL1TSHR
SCHEMBL637169 0.86 NPC1 (0.60) NPC1RAB9ASRCL3MBTL1TSHR
SCHEMBL636533 0.84 NPC1 (0.62) NPC1RAB9ASRCL3MBTL1TSHR
SCHEMBL7775011 0.84 NPC1 (0.62) NPC1RAB9ASRCL3MBTL1TSHR
SCHEMBL31474821 0.84 NPC1 (0.59) NPC1RAB9ASRCL3MBTL1TSHR
SCHEMBL636327 0.83 NPC1 (0.61) NPC1RAB9ASRCL3MBTL1TSHR
SCHEMBL7908560 0.83 NPC1 (0.61) NPC1RAB9ASRCL3MBTL1TSHR
SCHEMBL10661800 0.83 SMN1; SMN2 (0.73) NPC1RAB9AL3MBTL1TSHRSMN1; SMN2
SCHEMBL2558191 0.82 NPC1 (0.54) NPC1RAB9ASRCL3MBTL1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180134667-A1 INHIBITORS OF ALPHA-AMINO-BETA-CARBOXYMUCONIC ACID SEMIALDEHYDE DECARBOXYLASE TES PHARMA S.R.L. (IT) 2018-05-17 — — US disclosed
WO-2018069532-A1 INHIBITORS OF ALPHA-AMINO-BETA-CARBOXYMUCONIC ACID SEMIALDEHYDE DECARBOXYLASE TES PHARMA S.R.L. (IT) 2018-04-19 — — WO disclosed
US-5385922-A Cardiovascular and gastrointestinal disorders; antiischemic and cardiotonic agents CEDONA PHARMACEUTICALS B.V. (NL) 1995-01-31 — — US disclosed
US-5378718-A Cardiovascular activity, hypotensive CEDONA PHARMACEUTICALS B.V. (NL) 1995-01-03 — — US disclosed
EP-0547104-A1 THIAZOLIDIN DERIVATIVES CEDONA PHARMACEUTICALS B.V. (NL) 1993-06-23 — — EP disclosed
EP-0541634-A1 1,4-DIHYDROPYRIDINE DERIVATIVES CEDONA PHARMACEUTICALS B.V. (NL) 1993-05-19 — — EP disclosed
WO-1992004337-A1 THIAZOLIDIN DERIVATIVES CEDONA PHARMACEUTICALS BV (NL) 1992-03-19 — — WO disclosed
WO-1992002503-A1 NOVEL 1,4-DIHYDROPYRIDINE DERIVATIVES CEDONA PHARMACEUTICALS BV (NL) 1992-02-20 — — WO disclosed
US-4053415-A UNSATURATED POLYESTER ETHER HAVING A PHOTOCROSSLINKABLE MOIETY FUJI PHOTO FILM CO., LTD. (JA) 1977-10-11 — — 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-20180134667-A1 INHIBITORS OF ALPHA-AMINO-BETA-CARBOXYMUCONIC ACID SEMIALDEHYDE DECARBOXYLASE ACMSD, GLS, ALDH7A1 NPC1 2123/4885RAB9A 3532/4885SRC 3807/4885

“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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