SCHEMBL386138

SCHEMBL386138

O=CCCOC1CCCCC1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.47
ADH1B P00325 2/20 0.35
ADH1C P00326 2/20 0.35
ADH1A P07327 2/20 0.35
ADH4 P08319 2/20 0.35
ADH7 P40394 1/20 0.35
HPGD P15428 2/20 0.34
NAAA Q02083 1/20 0.33
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
ADRB2 P07550 3/20 0.32
ADRB1 P08588 3/20 0.32
ADRB3 P13945 1/20 0.32
EPHX1 P07099 1/20 0.31

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
SCHEMBL29951010 1.00 NPC1 (0.47) NPC1ADH1BADH1CADH1AADH4
SCHEMBL29956487 0.98 NPC1 (0.43) NPC1ADH1BADH1CADH1AADH4
SCHEMBL1400901 0.93
SCHEMBL10749421 0.88
SCHEMBL27599955 0.87 NPC1 (0.44) NPC1ADH1BADH1CADH1AADH4
SCHEMBL23270238 0.84 NPC1 (0.41) NPC1ADH1BADH1CADH1AADH4
SCHEMBL23270243 0.83 NPC1 (0.39) NPC1HPGDNAAA
SCHEMBL6380663 0.79 NPC1 (0.48) NPC1HPGDNAAAEPHX1
SCHEMBL6380359 0.79 NPC1 (0.48) NPC1HPGDNAAAEPHX1
SCHEMBL6385032 0.79 NPC1 (0.48) NPC1HPGDNAAAEPHX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed
US-20130119564-A1 EPOXY RESIN COMPOSITION AND SEMICONDUCTOR DEVICE SUMITOMO BAKELITE CO., LTD. (JP) 2013-05-16 US disclosed
US-20130113122-A1 EPOXY RESIN COMPOSITION AND SEMICONDUCTOR DEVICE SUMITOMO BAKELITE CO., LTD. (JP) 2013-05-09 US disclosed
US-8101650-B2 Method for treating a immunology-related disease DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-01-24 US disclosed
US-8067396-B2 Amino alcohol compounds or phosphonic acid derivatives thereof SANKYO COMPANY, LIMITED (JP) 2011-11-29 US disclosed
US-20100035842-A1 Amino alcohol compounds or phosphonic acid derivatives thereof SANKYO COMPANY, LIMITED (JP) 2010-02-11 US disclosed
US-20090326038-A1 Method for treating a immunology-related disease SANKYO COMPANY, LIMITED (JP) 2009-12-31 US disclosed
US-7638551-B2 Amino alcohol compounds or phosphonic acid derivatives thereof SANKYO COMPANY, LIMITED (JP) 2009-12-29 US disclosed
EP-1471054-B1 AMINO ALCOHOL DERIVATIVE OR PHOSPHONIC ACID DERIVATIVE AND MEDICINAL COMPOSITION CONTAINING THESE DAIICHI SANKYO CO LTD (JP) 2009-07-01 EP disclosed
US-20070142335-A1 Amino alcohol compounds or phosphonic acid derivatives thereof SANKYO COMPANY, LIMITED (JP) 2007-06-21 US disclosed
US-5071841-A For prevention of bone reabsorption TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1991-12-10 US disclosed
EP-0376197-A1 Sulfur-containing heterocyclic compounds Takeda Chemical Industries, Ltd. (JP) 1990-07-04 EP disclosed
US-4385176-A RING EXPANSION USING A LEWIS ACID FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1983-05-24 US disclosed
US-4308380-A 2-Lower alkyl-2 or 3-cephem-4-carboxylic acid derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1981-12-29 US disclosed
US-4203897-A Penam derivatives FUJISAWA PHARMACEUTICAL COMPANY, LIMITED (JP) 1980-05-20 US disclosed
US-4113940-A ANTIMICROBIAL FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1978-09-12 US disclosed
US-4091210-A Preparation of 3-alkyl-3-cephem-4-carboxylic acid compounds from dithio isopropenyl azetidine carboxylic compounds FUJISAWA PHARMACEUTICAL CO., LTD. (JA) 1978-05-23 US disclosed
US-4084049-A CEPHALOSPORIN ANTIBIOTICS FUJISAWA PHARMACEUTICAL CO., LTD. (JA) 1978-04-11 US disclosed
US-3984397-A CYCLIZATION FUJISAWA PHARMACEUTICAL CO., LTD. (JA) 1976-10-05 US disclosed
US-3954732-A BACTERICIDAL PENICILLINS FUJISAWA PHARMACEUTICAL CO., LTD. (JA) 1976-05-04 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 (3 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-20090326038-A1 Method for treating a immunology-related disease C3AR1, HRH3, HRH2 NPC1 1364/4885ADH1B 2396/4885ADH1C 1080/4885
US-20070142335-A1 Amino alcohol compounds or phosphonic acid derivatives thereof HRH3, C3AR1, HRH4 NPC1 4117/4885ADH1B 1298/4885ADH1C 23/4885
US-20100035842-A1 Amino alcohol compounds or phosphonic acid derivatives thereof PHOSPHO1, ADH1C, ADH1A NPC1 4240/4885ADH1B 626/4885ADH1C 2/4885

“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.