SCHEMBL741066

SCHEMBL741066

CCC(C=O)C1CCCCC1

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SHBG P04278 1/20 0.52
ADH1A P07327 6/20 0.39
ADH1C P00326 5/20 0.39
EPHX1 P07099 3/20 0.36
ADH1B P00325 2/20 0.36
ADH4 P08319 1/20 0.36
ALDH1A1 P00352 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
TP53 P04637 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
SCHEMBL21114328 1.00 SHBG (0.52) SHBGADH1AADH1CEPHX1ADH1B
SCHEMBL12803034 1.00 SHBG (0.52) SHBGADH1AADH1CEPHX1ADH1B
SCHEMBL21114256 1.00 SHBG (0.52) SHBGADH1AADH1CEPHX1ADH1B
SCHEMBL21114258 1.00 SHBG (0.52) SHBGADH1AADH1CEPHX1ADH1B
SCHEMBL21114236 1.00 SHBG (0.52) SHBGADH1AADH1CEPHX1ADH1B
SCHEMBL12802973 1.00 SHBG (0.52) SHBGADH1AADH1CEPHX1ADH1B
SCHEMBL21114292 1.00 SHBG (0.52) SHBGADH1AADH1CEPHX1ADH1B
SCHEMBL21114294 1.00 SHBG (0.52) SHBGADH1AADH1CEPHX1ADH1B
SCHEMBL29231554 0.95
SCHEMBL3318187 0.90

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109790284-B Polyphenol compound and process for producing the same 三菱化学株式会社 2021-09-21 CN disclosed
US-10851039-B2 Polyhydric phenol compound and method of producing same MITSUBISHI CHEMICAL CORPORATION (JP) 2020-12-01 US disclosed
US-10793499-B2 2020-10-06 US disclosed
EP-3514193-A1 POLYVALENT PHENOL COMPOUND AND METHOD OF PRODUCING SAME Mitsubishi Chemical Corporation (JP) 2019-07-24 EP disclosed
US-20190210947-A1 POLYHYDRIC PHENOL COMPOUND AND METHOD OF PRODUCING SAME MITSUBISHI CHEMICAL CORPORATION (JP) 2019-07-11 US disclosed
US-8138342-B2 11β-hydroxysteroid dehydrogenase type 1 active spiro compounds High Point Pharmacueticals, LLC (US) 2012-03-20 US disclosed
US-7858349-B2 Anti-cancer compounds THE REGENTS OF THE UNIVERSITY OF COLORADO (US) 2010-12-28 US disclosed
WO-2010127381-A1 DIAGNOSIS, MONITORING, PROGNOSIS, PREVENTION AND TREATMENT OF ANEURYSMS JAMES COOK UNIVERSITY (AU) 2010-11-11 WO disclosed
US-20090105289-A1 11beta-hydroxysteroid dehydrogenase type 1 active spiro compounds NOVO NORDISK A/S (DK) 2009-04-23 US disclosed
US-20090088454-A1 ANTI-CANCER COMPOUNDS THE REGENTS OF THE UNIVERSITY OF COLORADO (US) 2009-04-02 US disclosed
US-7427496-B2 Anti-cancer compounds THE REGENTS OF THE UNIVERSITY OF COLORADO (US) 2008-09-23 US disclosed
EP-1802623-A1 11BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 ACTIVE SPIRO COMPOUNDS Novo Nordisk A/S (DK) 2007-07-04 EP disclosed
US-20060183772-A1 To inhibit tumor growth in an animal; to induce apoptosis NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2006-08-17 US disclosed
WO-2006040329-A1 1 IBETA- HYDROXYSTEROID DEHYDROGENASE TYPE 1 ACTIVE SPIRO COMPOUNDS NOVO NORDISK A/S (DK) 2006-04-20 WO disclosed
US-5475106-A Agonist for cholecystokinin and gastrin receptors; nervous system, gastrointestinal disorders RHONE-POULENC RORER S.A. (FR) 1995-12-12 US disclosed
US-4034001-A MONOMERS THE LUBRIZOL CORPORATION (US) 1977-07-05 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 (4 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-20190210947-A1 POLYHYDRIC PHENOL COMPOUND AND METHOD OF PRODUCING SAME RB1, FHIT, H1-4 SHBG 1514/4885ADH1A 646/4885ADH1C 467/4885
US-10851039-B2 Polyhydric phenol compound and method of producing same RB1, FHIT, H1-4 SHBG 1514/4885ADH1A 646/4885ADH1C 467/4885
US-20090105289-A1 11beta-hydroxysteroid dehydrogenase type 1 active spiro compounds HSD11B1, HSD3B1, HSD17B1 SHBG 249/4885ADH1A 27/4885ADH1C 35/4885
US-10793499-B2 RB1, H1-4, TPD52L2 SHBG 2465/4885ADH1A 817/4885ADH1C 772/4885

“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.