SCHEMBL7407269

SCHEMBL7407269

CC1(C)OCC(Cc2ccccc2)N1C(=O)Cc1ccc(-c2ccc(-c3ccccc3)cc2)o1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.38
MAPT P10636 2/20 0.38
PKM P14618 2/20 0.38
HSD17B10 Q99714 2/20 0.38
POLB P06746 1/20 0.38
HTT P42858 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
HPGD P15428 2/20 0.37
ABCB1 P08183 1/20 0.36
PIN1 Q13526 1/20 0.36
CYP3A4 P08684 2/20 0.36
TSHR P16473 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
ALOX5 P09917 1/20 0.35
SCD5 Q86SK9 1/20 0.35
PPARG P37231 2/20 0.35
PPARA Q07869 2/20 0.35
LDHA P00338 2/20 0.34
LDHB P07195 2/20 0.34
HAO1 Q9UJM8 1/20 0.34

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
SCHEMBL7407270 1.00 ALDH1A1 (0.38) ALDH1A1MAPTPKMHSD17B10POLB
SCHEMBL7452364 0.82 ALDH1A1 (0.43) ALDH1A1MAPTPOLBHPGDCYP3A4
SCHEMBL7408391 0.82 ALDH1A1 (0.43) ALDH1A1MAPTPOLBHPGDCYP3A4
SCHEMBL7604100 0.81 ALDH1A1 (0.36) ALDH1A1HSD17B10HPGDABCB1ALOX5
SCHEMBL7604096 0.81 ALDH1A1 (0.36) ALDH1A1HSD17B10HPGDABCB1ALOX5
SCHEMBL7404869 0.78 TSHR (0.36) ALDH1A1MAPTHSD17B10ABCB1TSHR
SCHEMBL7454510 0.78 TSHR (0.36) ALDH1A1MAPTHSD17B10ABCB1TSHR
SCHEMBL7609889 0.78 ALDH1A1 (0.34) ALDH1A1HSD17B10HPGDABCB1CYP3A4
SCHEMBL7412352 0.78 ALDH1A1 (0.34) ALDH1A1HSD17B10HPGDABCB1CYP3A4
SCHEMBL7400452 0.77 ABCB1 (0.41) ALDH1A1MAPTPKMHSD17B10HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6174915-B1 FOR TREATING MAMMALIAN DISEASE CONDITION MEDIATED BY METALLOPROTEINASE ACTIVITY AGOURON PHARMACEUTICALS, INC. 2001-01-16 US claimed
US-6495699-B2 ANTIARTHRITIC AGENTS; OSTEOPOROSIS AGOURON PHARMACEUTICALS INC. 2002-12-17 US disclosed
US-20020019429-A1 Metalloproteinase inhibitors, pharmaceutical compositions containing them, and their use BENDER STEVEN L (US) 2002-02-14 US disclosed
US-6306892-B1 ENZYME INHIBITORS HETEROCYCLIC AMIDES AGOURON PHARMACEUTICALS, INC. 2001-10-23 US disclosed
US-6174915-B1 FOR TREATING MAMMALIAN DISEASE CONDITION MEDIATED BY METALLOPROTEINASE ACTIVITY AGOURON PHARMACEUTICALS, INC. 2001-01-16 US disclosed
US-6008243-A AN ENZYME INHIBITOR FOR PREVENTING THE DEGRADATION AND REMODELING OF CONNECTIVE TISSUES AGOURON PHARMACEUTICALS, INC. (US) 1999-12-28 US disclosed
EP-0937042-A1 HETEROARYL SUCCINAMIDES AND THEIR USE AS METALLOPROTEINASE INHIBITORS AGOURON PHARMACEUTICALS, INC. (US) 1999-08-25 EP disclosed
WO-1998017643-A1 HETEROARYL SUCCINAMIDES AND THEIR USE AS METALLOPROTEINASE INHIBITORS AGOURON PHARMACEUTICALS, INC. (US) 1998-04-30 WO 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-20020019429-A1 Metalloproteinase inhibitors, pharmaceutical compositions containing them, and their use MMP9, MMP2, MMP3 ALDH1A1 733/4885MAPT 4640/4885PKM 4115/4885

“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.