SCHEMBL9217873

SCHEMBL9217873

CCc1cc(C)ccc1C(C)=O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 1/20 0.58
CYP2A6 P11509 1/20 0.41
KDM4E B2RXH2 1/20 0.41
HSD17B10 Q99714 1/20 0.41
RAB9A P51151 2/20 0.40
NPC1 O15118 1/20 0.40
CSNK2A1 P68400 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
KMT2A Q03164 3/20 0.39
LMNA P02545 2/20 0.39
MAPT P10636 1/20 0.39
HTT P42858 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
ALDH1A1 P00352 1/20 0.39
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
MEN1 O00255 1/20 0.38
SETDB1 Q15047 1/20 0.37
PLG P00747 1/20 0.37

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
SCHEMBL7324041 0.86 HSD17B1 (0.45) HSD17B1CYP2A6KDM4EHSD17B10RAB9A
SCHEMBL31534041 0.85 HSD17B1 (0.42) HSD17B1RAB9ANPC1CSNK2A1SMN1; SMN2
SCHEMBL13137065 0.84 HSD17B1 (0.42) HSD17B1CYP2A6KDM4EHSD17B10RAB9A
SCHEMBL4677431 0.83 HSD17B1 (0.44) HSD17B1CYP2A6KDM4EHSD17B10CSNK2A1
SCHEMBL1549076 0.83 CSNK2A1 (0.53) HSD17B1KDM4ECSNK2A1SMN1; SMN2KMT2A
SCHEMBL14808369 0.82 HSD17B1 (0.40) HSD17B1RAB9ANPC1CSNK2A1SMN1; SMN2
SCHEMBL27005987 0.82 HSD17B1 (0.40) HSD17B1RAB9ANPC1CSNK2A1SMN1; SMN2
SCHEMBL4604668 0.82 PARP1 (0.42) HSD17B1RAB9ANPC1CSNK2A1KMT2A
SCHEMBL21892027 0.82 HSD17B1 (0.40) HSD17B1KDM4ERAB9ANPC1CSNK2A1
SCHEMBL9838470 0.81 TAAR1 (0.56) HSD17B1CYP2A6KDM4EHSD17B10RAB9A

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-20230330258-A1 CONJUGATES COMPRISING A PHOSPHORUS (V) AND A DRUG MOIETY TUBULIS GMBH (DE) 2023-10-19 US disclosed
EP-3820573-B1 3-(5-HYDROXY-1-OXOISOINDOLIN-2-YL)PIPERIDINE-2,6-DIONE DERIVATIVES AND THEIR USE IN THE TREATMENT OF IKAROS FAMILY ZINC FINGER 2 (IKZF2)-DEPENDENT DISEASES NOVARTIS AG (CH) 2023-08-09 EP disclosed
US-11021457-B2 Class of isoindolone-imide ring-1,3-dione-2-ene compounds, composition and use thereof Wigen Biomedicine Technology (shanghai) Co., Ltd. (CN) 2021-06-01 US disclosed
US-20210145832-A1 TANK-BINDING KINASE-1 PROTACs AND ASSOCIATED METHODS OF USE ARVINAS OPERATIONS, INC. 2021-05-20 US disclosed
US-10647698-B2 Tetrahydronaphthalene and tetrahydroisoquinoline derivatives as estrogen receptor degraders ARVINAS OPERATIONS, INC. (US) 2020-05-12 US disclosed
US-20110077394-A1 LIGHT-DRIVEN ROTARY MOLECULAR MOTORS NATIONAL SCIENCE FOUNDATION 2011-03-31 US disclosed
WO-1995000114-A1 TETRALINE® FORMATE ESTER AROMA CHEMICALS UNION CAMP CORPORATION (US) 1995-01-05 WO disclosed
US-5292719-A Perfumes, colognes, soaps and cosmetics; musk aroma UNION CAMP CORPORATION (US) 1994-03-08 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 (5 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-20230330258-A1 CONJUGATES COMPRISING A PHOSPHORUS (V) AND A DRUG MOIETY CALCR, BCR, PTH1R HSD17B1 2383/4885CYP2A6 879/4885KDM4E 1644/4885
US-20210145832-A1 TANK-BINDING KINASE-1 PROTACs AND ASSOCIATED METHODS OF USE TBK1, TNKS, TBKBP1 HSD17B1 4340/4885CYP2A6 4732/4885KDM4E 802/4885
US-20110077394-A1 LIGHT-DRIVEN ROTARY MOLECULAR MOTORS CCNA2, CCNO, SCO2 HSD17B1 3778/4885CYP2A6 3535/4885KDM4E 3382/4885
US-11021457-B2 Class of isoindolone-imide ring-1,3-dione-2-ene compounds, composition and use thereof ATG7, MLST8, BECN1 HSD17B1 1210/4885CYP2A6 2379/4885KDM4E 872/4885
US-10647698-B2 Tetrahydronaphthalene and tetrahydroisoquinoline derivatives as estrogen receptor degraders MDM2, CRBN, VHL HSD17B1 898/4885CYP2A6 1885/4885KDM4E 1438/4885

“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.