SCHEMBL181066

SCHEMBL181066

COC(=O)C1CCC(c2ccccc2)CC1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 1/20 0.56
AKR1C1 Q04828 1/20 0.56
NPC1 O15118 3/20 0.53
RAB9A P51151 3/20 0.53
POLB P06746 1/20 0.53
ALDH1A1 P00352 3/20 0.51
SMN1; SMN2 Q16637 1/20 0.48
MAPT P10636 1/20 0.48
HPGD P15428 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
HSD17B10 Q99714 1/20 0.48
DEGS1 O15121 1/20 0.48
SLC6A3 Q01959 4/20 0.47
SLC6A4 P31645 3/20 0.47
SLC6A2 P23975 2/20 0.47
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
GAA P10253 1/20 0.45
TSHR P16473 1/20 0.45

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
SCHEMBL3540595 1.00 AKR1C3 (0.56) AKR1C3AKR1C1NPC1RAB9APOLB
SCHEMBL20599602 0.94 AKR1C3 (0.50) AKR1C3AKR1C1NPC1RAB9APOLB
SCHEMBL24434987 0.91 AKR1C3 (0.69) AKR1C3AKR1C1NPC1RAB9APOLB
SCHEMBL3543298 0.91 AKR1C3 (0.69) AKR1C3AKR1C1NPC1RAB9APOLB
SCHEMBL28625883 0.87 AKR1C3 (0.78) AKR1C3AKR1C1NPC1RAB9APOLB
SCHEMBL14113548 0.85 ALDH1A1 (0.56) NPC1RAB9AALDH1A1SMN1; SMN2MAPT
SCHEMBL3296229 0.85 ALDH1A1 (0.56) NPC1RAB9AALDH1A1SMN1; SMN2MAPT
SCHEMBL3296236 0.85 ALDH1A1 (0.56) NPC1RAB9AALDH1A1SMN1; SMN2MAPT
SCHEMBL7986736 0.85 SLC18A3 (0.55) ALDH1A1SMN1; SMN2HPGDNPSR1KMT2A
SCHEMBL12303028 0.84 ALDH1A1 (0.51) NPC1RAB9AALDH1A1SLC6A3SLC6A4

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 46 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-58194841-A None JP disclosed
JP-58222042-A None JP disclosed
JP-58180465-A None JP disclosed
CN-110072860-B Compounds useful as immunomodulators 百时美施贵宝公司 2022-09-02 CN disclosed
EP-3009493-B1 THERMOCHROMIC COLOR-MEMORIZING COMPOSITION AND THERMOCHROMIC COLOR-MEMORIZING MICROCAPSULE PIGMENT ENCAPSULATING SAME PILOT INK CO LTD (JP) 2018-01-31 EP disclosed
US-20150065517-A1 NEW COMPOUNDS NOVARTIS AG (CH) 2015-03-05 US disclosed
US-8912208-B2 (4-{4-[5-(benzooxazol-2-ylamino)-pyridin-2-yl]-phenyl}-cyclohexyl)-acetic acid useful for treating or preventing conditions or disorders associated with DGAT1 activity NOVARTIS AG (CH) 2014-12-16 US disclosed
US-8835451-B2 Compounds NOVARTIS AG (CH) 2014-09-16 US disclosed
EP-2418202-B1 (4-[4-[5-(substituted amino)-pyridin-2-yl]phenyl]-cyclohexyl)-acetic acid derivatives as DGAT inhibitors NOVARTIS AG (CH) 2014-01-29 EP disclosed
US-8512598-B2 Liquid crystal compounds and method for preparing the same DONGJIN SEMICHEM CO., LTD. (KR) 2013-08-20 US disclosed
EP-1833806-A1 OXADIAZOLE DERIVATIVES AS DGAT INHIBITORS AstraZeneca AB (SE) 2007-09-19 EP disclosed
US-7244727-B2 Fused bicyclic nitrogen-containing heterocycles JAPAN TOBACCO INC. (JP) 2007-07-17 US disclosed
US-7244727-B2 Fused bicyclic nitrogen-containing heterocycles JAPAN TOBACCO INC. (JP) 2007-07-17 US disclosed
WO-2006064189-A1 OXADIAZOLE DERIVATIVES AS DGAT INHIBITORS ASTRAZENECA AB (SE) 2006-06-22 WO disclosed
US-4452719-A LIQUID CRYSTALS CHISSO CORPORATION (JP) 1984-06-05 US disclosed
JP-S58222042-A 4-(TRANS-4-ALKYLCYCLOHEXYL)-1-(4-(TRANS-4- ALKYLOXYMETHYLCYCLOHEXYL)PHENYL)CYCLOHEXENE CHISSO CORP 1983-12-23 JP disclosed
EP-0094198-A2 4-(Trans-4'-alkyloxymethylcyclohexyl) benzoic acid esters Chisso Corporation (JP) 1983-11-16 EP disclosed
JP-S58194841-A ESTERS OF 4-(TRANS-4'-ALKYLOXYMETHYLCYCLOHEXYL)BENZOIC ACID CHISSO CORP 1983-11-12 JP disclosed
JP-S58180465-A TRANS-4-ALKYLOXYMETHYL-1-(4\"-CYANO-4'-BIPHENYLYL)- CYCLOHEXANE COMPOUND CHISSO CORP 1983-10-21 JP disclosed
US-4109015-A PROSTAGLANDINS, LUTEOLYTIC IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) 1978-08-22 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-20150065517-A1 NEW COMPOUNDS DGAT1, DGAT2, GBA1 AKR1C3 1073/4885AKR1C1 544/4885NPC1 17/4885

“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.