SCHEMBL7258643

SCHEMBL7258643

CC1(C)OCC(C)(C(=O)Cl)CO1

nearest known ligand 0.37

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
KCNA4 P22459 1/20 0.37
KCNA1 Q09470 1/20 0.37
KCNAB1 Q14722 1/20 0.37
FFAR3 O14843 1/20 0.32

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
SCHEMBL9956420 0.81
SCHEMBL1970312 0.78 KCNA4 (0.39) KCNA4KCNA1KCNAB1FFAR3
SCHEMBL42141 0.76 FFAR3 (0.52) KCNA4KCNA1KCNAB1FFAR3
SCHEMBL7258460 0.76 KCNA4 (0.43) KCNA4KCNA1KCNAB1FFAR3
SCHEMBL16153587 0.74 KCNA4 (0.37) KCNA4KCNA1KCNAB1FFAR3
Hydrochloric Acid SCHEMBL15522635 0.74 FFAR3 (0.50) KCNA4KCNA1KCNAB1FFAR3
SCHEMBL19237132 0.74 KCNA4 (0.32) KCNA4KCNA1KCNAB1
SCHEMBL7733528 0.74 KCNA4 (0.37) KCNA4KCNA1KCNAB1FFAR3
SCHEMBL1871799 0.74 PKM (0.37) KCNA4KCNA1KCNAB1FFAR3
SCHEMBL10579808 0.73 GABRA1 (0.31)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9051336-B2 Regioselective acylation of rapamycin at the C-42 position SANDOZ (CH) 2015-06-09 US claimed
US-20140081016-A1 REGIOSELECTIVE ACYLATION OF RAPAMYCIN AT THE C-42 POSITION SANDOZ AG (CH) 2014-03-20 US claimed
EP-2694520-A1 REGIOSELECTIVE ACYLATION OF RAPAMYCIN AT THE C-42 POSITION Sandoz AG (CH) 2014-02-12 EP claimed
WO-2012131019-A1 REGIOSELECTIVE ACYLATION OF RAPAMYCIN AT THE C-42 POSITION SANDOZ AG (CH) 2012-10-04 WO claimed
EP-1216251-B1 REGIOSELECTIVE SYNTHESIS OF RAPAMYCIN DERIVATIVES WYETH CORP (US) 2003-02-26 EP claimed
EP-1216251-A2 REGIOSELECTIVE SYNTHESIS OF RAPAMYCIN DERIVATIVES Wyeth (US) 2002-06-26 EP claimed
US-20010039338-A1 Regioselective synthesis of rapamycin derivatives AMERICAN HOME PRODUCTS CORPORATION (US) 2001-11-08 US claimed
US-6277983-B1 Regioselective synthesis of rapamycin derivatives AMERICAN HOME PRODUCTS CORPORATION 2001-08-21 US claimed
WO-2001023395-A2 REGIOSELECTIVE SYNTHESIS OF RAPAMYCIN DERIVATIVES AMERICAN HOME PRODUCTS CORPORATION (US) 2001-04-05 WO claimed
CN-109689608-B Novel curcuminoid derivatives and their use as anti-cancer agents 台湾中国医药大学 2022-07-29 CN disclosed
US-20220157484-A1 POLYURETHANE, POLYURETHANE PRODUCTION METHOD, CONDUCTIVE PASTE COMPOSITION, CONDUCTIVE WIRE, AND METHOD FOR PRODUCING CONDUCTIVE WIRE SHIN-ETSU CHEMICAL CO., LTD. (JP) 2022-05-19 US disclosed
EP-3433225-B1 NOVEL DERIVATIVES OF CURCUMINOIDS AND USE THEREOF AS AN ANTICANCER AGENT UNIV CHINA MEDICAL (TW) 2021-03-17 EP disclosed
EP-3433225-B1 NOVEL DERIVATIVES OF CURCUMINOIDS AND USE THEREOF AS AN ANTICANCER AGENT UNIV CHINA MEDICAL (TW) 2021-03-17 EP disclosed
US-10787413-B2 Derivatives of curcuminoids and use thereof as an anticancer agent CHINA MEDICAL UNIVERSITY (TW) 2020-09-29 US disclosed
WO-2009137448-A2 CURE ACCELERATORS FOR ANAEROBIC CURABLE COMPOSITIONS HENKEL CORPORATION (US) 2009-11-12 WO disclosed
EP-1216251-B1 REGIOSELECTIVE SYNTHESIS OF RAPAMYCIN DERIVATIVES WYETH CORP (US) 2003-02-26 EP disclosed
EP-1216251-A2 REGIOSELECTIVE SYNTHESIS OF RAPAMYCIN DERIVATIVES Wyeth (US) 2002-06-26 EP disclosed
US-20010039338-A1 Regioselective synthesis of rapamycin derivatives AMERICAN HOME PRODUCTS CORPORATION (US) 2001-11-08 US disclosed
US-6277983-B1 Regioselective synthesis of rapamycin derivatives AMERICAN HOME PRODUCTS CORPORATION 2001-08-21 US disclosed
WO-2001023395-A2 REGIOSELECTIVE SYNTHESIS OF RAPAMYCIN DERIVATIVES AMERICAN HOME PRODUCTS CORPORATION (US) 2001-04-05 WO 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-20010039338-A1 Regioselective synthesis of rapamycin derivatives RICTOR, MTOR, RPTOR KCNA4 4514/4885KCNA1 4721/4885KCNAB1 4565/4885
US-20140081016-A1 REGIOSELECTIVE ACYLATION OF RAPAMYCIN AT THE C-42 POSITION RICTOR, RPTOR, MTOR KCNA4 2056/4885KCNA1 1999/4885KCNAB1 1615/4885
US-10787413-B2 Derivatives of curcuminoids and use thereof as an anticancer agent HPGDS, DHFR, MYC KCNA4 4307/4885KCNA1 4576/4885KCNAB1 4528/4885

“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.