Tetrahydrofuran

Tetrahydrofuran

SCHEMBL6623282

C1CCOC1.CCO.CO.ClC(Cl)Cl

nearest known ligand 0.42

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

MMP1MMP13MMP7MMP8polrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

The experimentally established mechanism targets of Tetrahydrofuran. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.42
TSHR P16473 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
Tetrahydrofuran SCHEMBL2812148 0.89 ALDH1A1 (0.53) ALDH1A1TSHR
Tetrahydrofuran SCHEMBL218583 0.89 ALDH1A1 (0.53) ALDH1A1TSHR
Dioxane SCHEMBL17698398 0.86 ALDH1A1 (0.38) ALDH1A1TSHR
Alcohol SCHEMBL7807841 0.86 ALDH1A1 (0.50) ALDH1A1TSHR
Tetrahydrofuran SCHEMBL30232 0.86
Tetrahydrofuran SCHEMBL8412489 0.86 ALDH1A1 (0.57) ALDH1A1TSHR
Tetrahydrofuran SCHEMBL10606207 0.83 ALDH1A1 (0.47) ALDH1A1TSHR
Alcohol SCHEMBL4270003 0.83 ALDH1A1 (0.53) ALDH1A1TSHR
Alcohol SCHEMBL3138912 0.83 ALDH1A1 (0.53) ALDH1A1TSHR
Tetrahydrofuran SCHEMBL241626 0.83

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1240380-C Phase transfer catalyzed glycosidation of indolopyrrolocarbazoles MERCK & CO INC (US) 2006-02-08 CN disclosed
EP-1264836-B1 Processes for the preparation of indolopyrrolocarbazole derivatives BANYU PHARMA CO LTD (JP) 2004-12-01 EP disclosed
CN-1482908-A Phase transfer catalyzed glycosidation of an indolocarbazole 2004-03-17 CN disclosed
US-20040024196-A1 Phase transfer catalyzed glycosidation of an indolocarbazole PETRILLO DANIEL E (US) 2004-02-05 US disclosed
EP-0760375-B1 ANTITUMOR INDOLOPYPROLOCARBAZOLE DERIVATIVE BANYU PHARMA CO LTD (JP) 2003-11-26 EP disclosed
EP-1333826-A2 PHASE TRANSFER CATALYZED GLYCOSIDATION OF AN INDOLOCARBAZOLE Merck & Co., Inc. (US) 2003-08-13 EP disclosed
US-6555677-B2 Preparing preferential compound; incubate sugar with activating agent, couple activated sugar with preferential compound, recover compound MERCK & CO., INC. 2003-04-29 US disclosed
EP-1264836-A1 Processes for the preparation of indolopyrrolocarbazole derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 2002-12-11 EP disclosed
US-20020058803-A1 Phase transfer catalyzed glycosidation of an indolocarbazole BANYU PHARMACEUTICAL CO., LTD. (JP) 2002-05-16 US disclosed
WO-2002036601-A2 PHASE TRANSFER CATALYZED GLYCOSIDATION OF AN INDOLOCARBAZOLE MERCK & CO., INC. (US) 2002-05-10 WO disclosed
US-5922860-A Antitumor indolopyrrolocarbazole derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 1999-07-13 US disclosed
US-5804564-A Antitumor indolopyrrolocarbazole derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 1998-09-08 US disclosed
EP-0760375-A1 ANTITUMOR INDOLOPYPROLOCARBAZOLE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 1997-03-05 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 (2 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-20040024196-A1 Phase transfer catalyzed glycosidation of an indolocarbazole UGGT1, UGCG, GPI ALDH1A1 779/4885TSHR 2347/4885
US-20020058803-A1 Phase transfer catalyzed glycosidation of an indolocarbazole UGGT1, UGCG, GPI ALDH1A1 779/4885TSHR 2347/4885

“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.