SCHEMBL4580150

SCHEMBL4580150

CC1(C)CC(=O)C2=C(C1)NCCC2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
HSD17B10 Q99714 2/20 0.42
LMNA P02545 1/20 0.42
ALDH1A1 P00352 7/20 0.42
KDM4E B2RXH2 4/20 0.42
GAA P10253 2/20 0.42
GLA P06280 1/20 0.42
MAOA P21397 1/20 0.41
POLB P06746 2/20 0.40
USP2 O75604 1/20 0.40
ALOX15 P16050 1/20 0.40
NPSR1 Q6W5P4 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
OR51E2 Q9H255 1/20 0.35
MAPT P10636 4/20 0.33
HTT P42858 2/20 0.33
NCOA1 Q15788 1/20 0.33
NCOA3 Q9Y6Q9 1/20 0.33
HPGD P15428 1/20 0.33

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
SCHEMBL11005699 0.79 HSD17B10 (0.56) MEN1KMT2AHSD17B10LMNAALDH1A1
SCHEMBL10998655 0.74 HSD17B10 (0.50) MEN1KMT2AHSD17B10LMNAALDH1A1
SCHEMBL9803410 0.73 MEN1 (0.46) MEN1KMT2AHSD17B10LMNAALDH1A1
SCHEMBL11003895 0.73 LMNA (0.49) MEN1KMT2AHSD17B10LMNAALDH1A1
SCHEMBL10668871 0.70 OR51E2 (0.42) HSD17B10LMNAOR51E2
SCHEMBL2676672 0.70 MAOA (0.59) MEN1KMT2AHSD17B10LMNAALDH1A1
SCHEMBL10997794 0.67 ALDH1A1 (0.46) MEN1KMT2AHSD17B10LMNAALDH1A1
SCHEMBL4579039 0.67 MAOA (0.50) MEN1KMT2AHSD17B10LMNAALDH1A1
SCHEMBL2324941 0.64
SCHEMBL10999239 0.63 LMNA (0.50) HSD17B10LMNAOR51E2

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-20080070918-A1 Dihydropyridazine, Tetrahydropyridine, Chromanone, and Dihydronaphthalenone Derivatives SERENEX, INC. 2008-03-20 US claimed
WO-2008024961-A1 DIHYDROPYRIDAZINE, TETRAHYDROPYRIDINE, CHROMANONE, AND DIHYDRONAPHTHALENONE DERIVATIVES AS HEAT-SHOCK PROTEIN 90 INHIBITORS SERENEX, INC. (US) 2008-02-28 WO claimed
US-20080070918-A1 Dihydropyridazine, Tetrahydropyridine, Chromanone, and Dihydronaphthalenone Derivatives SERENEX, INC. 2008-03-20 US disclosed
US-20080070918-A1 Dihydropyridazine, Tetrahydropyridine, Chromanone, and Dihydronaphthalenone Derivatives SERENEX, INC. 2008-03-20 US disclosed
US-20080070918-A1 Dihydropyridazine, Tetrahydropyridine, Chromanone, and Dihydronaphthalenone Derivatives SERENEX, INC. 2008-03-20 US disclosed
WO-2008024961-A1 DIHYDROPYRIDAZINE, TETRAHYDROPYRIDINE, CHROMANONE, AND DIHYDRONAPHTHALENONE DERIVATIVES AS HEAT-SHOCK PROTEIN 90 INHIBITORS SERENEX, INC. (US) 2008-02-28 WO disclosed
WO-2008024961-A1 DIHYDROPYRIDAZINE, TETRAHYDROPYRIDINE, CHROMANONE, AND DIHYDRONAPHTHALENONE DERIVATIVES AS HEAT-SHOCK PROTEIN 90 INHIBITORS SERENEX, INC. (US) 2008-02-28 WO disclosed
US-5352793-A Sunscreen compounds ICI AUSTRALIA OPERATIONS PROPRIETARY LIMITED (AU) 1994-10-04 US disclosed
US-5000946-A Sunscreen compositions and compounds for use therein ICI AUSTRALIA OPERATIONS PROPRIETARY LIMITED, 1 NICHOLSON STREET, MELBOURNE, VICTORIA 3001, AUSTRALIA, A COMPANY OF AUSTRALIA 1991-03-19 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-20080070918-A1 Dihydropyridazine, Tetrahydropyridine, Chromanone, and Dihydronaphthalenone Derivatives QDPR, CCND2, CCND1 MEN1 2801/4885KMT2A 3660/4885HSD17B10 355/4885

“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.