SCHEMBL6444392

SCHEMBL6444392

O=CC1C2CCCC1CCC2

nearest known ligand 0.38

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ADH1A P07327 7/20 0.36
ADH1C P00326 5/20 0.36
ALDH1A1 P00352 1/20 0.35
ADH1B P00325 1/20 0.35
ADH7 P40394 1/20 0.35
ADH4 P08319 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
SCHEMBL2703784 0.86
SCHEMBL9538361 0.73
SCHEMBL8496069 0.71 ADH1C (0.31) ADH1AADH1C
SCHEMBL3358225 0.69 ADH1A (0.33) ADH1AADH1CADH1BADH7ADH4
SCHEMBL6553028 0.69 ADH1A (0.33) ADH1AADH1CALDH1A1ADH1BADH7
SCHEMBL19111830 0.67 CCR5 (0.42)
SCHEMBL13631312 0.67 ADH1A (0.32) ADH1AADH1CALDH1A1ADH1BADH7
SCHEMBL22684033 0.67
SCHEMBL9537465 0.67
SCHEMBL6853765 0.67

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050130941-A1 Methods of treating alzheimer's disease PHARMACIA & UPJOHN COMPANY LLC 2005-06-16 US disclosed
US-6071895-A RETROVIRAL PROTEASES INHIBITOR; USEFUL FOR TREATMENT OF HUMAN IMMUNODEFICIENCY VIRUS VIRAL INFECTIONS SUCH AS ACQUIRED IMMUNODEFICIENCY SYNDROME(AIDS); COMPOUND CONTAINING A CYCLIC DIAZAALKANE GROUP NARHEX LIMITED (HK) 2000-06-06 US disclosed
EP-0717736-A4 POLAR-SUBSTITUTED HYDROCARBONS NARHEX LTD (HK) 1996-08-28 EP disclosed
EP-0717736-A1 POLAR-SUBSTITUTED HYDROCARBONS NARHEX LIMITED (HK) 1996-06-26 EP disclosed
WO-1995007269-A1 POLAR-SUBSTITUTED HYDROCARBONS NARHEX LIMITED (HK) 1995-03-16 WO disclosed
US-4931591-A Novel 5-amino-4-hydroxyvaleryl derivatives CIBA-GEIGY CORPORATION (US) 1990-06-05 US disclosed
US-4863903-A RENIN ENZYME INHIBITORS, HYPOTENSIVE AGENTS CIBA-GEIGY CORPORATION (US) 1989-09-05 US disclosed
US-4727060-A HYPOTENSIVE AGENTS CIBA-GEIGY CORPORATION (US) 1988-02-23 US disclosed
US-4719288-A HYPOTENSIVE CIBA-GEIGY CORPORATION (US) 1988-01-12 US disclosed
US-4613676-A PEPTIDES CIBA-GEIGY CORPORATION (US) 1986-09-23 US disclosed
EP-0184550-A2 5-Amino-4-hydroxy valeryl amide derivatives CIBA-GEIGY AG (CH) 1986-06-11 EP 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-20050130941-A1 Methods of treating alzheimer's disease BACE1, PSEN1, BACE2 ADH1A 1905/4885ADH1C 1393/4885ALDH1A1 889/4885

“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.