SCHEMBL104373

SCHEMBL104373

O=C1CC(O)C(O)C(O)C1O

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ERBB2 P04626 1/20 0.33
PIM1 P11309 1/20 0.33
CYP2D6 P10635 1/20 0.33
MAPK1 P28482 1/20 0.33
CYP2C19 P33261 1/20 0.33
HSD17B10 Q99714 1/20 0.33
MAPT P10636 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
SCHEMBL12859733 1.00 ERBB2 (0.33) ERBB2PIM1CYP2D6MAPK1CYP2C19
SCHEMBL14706323 0.74 FUCA1 (0.33)
SCHEMBL14706322 0.74 FUCA1 (0.33)
SCHEMBL8892346 0.73 LMNA (0.32)
SCHEMBL8440380 0.73 LMNA (0.32)
SCHEMBL13179879 0.70 GBA1 (0.38)
SCHEMBL31003930 0.70 GBA1 (0.38)
SCHEMBL18916389 0.70 GBA1 (0.38)
SCHEMBL27822108 0.70 PTPN1 (0.35) CYP2C19
SCHEMBL13478180 0.70 GBA1 (0.38)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8378146-B2 Method for producing catechol MITSUI CHEMICALS, INC. (JP) 2013-02-19 US claimed
US-20110034735-A1 METHOD FOR PRODUCING CATECHOL MITSUI CHEMICALS, INC. (JP) 2011-02-10 US claimed
EP-2266940-A1 CATECHOL MANUFACTURING METHOD Mitsui Chemicals, Inc. (JP) 2010-12-29 EP claimed
EP-2426098-B1 PROCESS FOR PRODUCING POLYHYDRIC PHENOL MITSUI CHEMICALS INC (JP) 2015-01-21 EP disclosed
US-8604253-B2 Method for producing polyhydric phenol MITSUI CHEMICALS, INC. (JP) 2013-12-10 US disclosed
US-8378146-B2 Method for producing catechol MITSUI CHEMICALS, INC. (JP) 2013-02-19 US disclosed
US-8378146-B2 Method for producing catechol MITSUI CHEMICALS, INC. (JP) 2013-02-19 US disclosed
US-8378146-B2 Method for producing catechol MITSUI CHEMICALS, INC. (JP) 2013-02-19 US disclosed
EP-2426098-A1 PROCESS FOR PRODUCING POLYHYDRIC PHENOL Mitsui Chemicals, Inc. (JP) 2012-03-07 EP disclosed
US-20120046498-A1 METHOD FOR PRODUCING POLYHYDRIC PHENOL MITSUI CHEMICALS, INC. (JP) 2012-02-23 US disclosed
US-20110034735-A1 METHOD FOR PRODUCING CATECHOL MITSUI CHEMICALS, INC. (JP) 2011-02-10 US disclosed
EP-2266940-A1 CATECHOL MANUFACTURING METHOD Mitsui Chemicals, Inc. (JP) 2010-12-29 EP disclosed
WO-2009125581-A1 CATECHOL MANUFACTURING METHOD 三井化学株式会社 (JP) 2009-10-15 WO disclosed
WO-2005092834-A1 PROCESSES FOR THE PURIFICATION OF VOGLIBOSE AND INTERMEDIATES THEREOF RANBAXY LABORATORIES LIMITED (IN) 2005-10-06 WO disclosed
WO-2005092834-A1 PROCESSES FOR THE PURIFICATION OF VOGLIBOSE AND INTERMEDIATES THEREOF RANBAXY LABORATORIES LIMITED (IN) 2005-10-06 WO disclosed
WO-2005049547-A1 PROCESS FOR THE PREPARATION OF 1,2,3,4-CYCLOHEXANETETROL DERIVATIVES RANBAXY LABORATORIES LIMITED (IN) 2005-06-02 WO disclosed
WO-2005049547-A1 PROCESS FOR THE PREPARATION OF 1,2,3,4-CYCLOHEXANETETROL DERIVATIVES RANBAXY LABORATORIES LIMITED (IN) 2005-06-02 WO disclosed
US-5004838-A Inosose derivatives, production and use thereof TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1991-04-02 US disclosed
US-4898986-A Inosose derivatives, production and use thereof TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1990-02-06 US disclosed
US-3982996-A CULTURING STERLING DRUG INC. (US) 1976-09-28 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 (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-20110034735-A1 METHOD FOR PRODUCING CATECHOL COMT, DBH, TYR ERBB2 3280/4885PIM1 3113/4885CYP2D6 58/4885
US-20120046498-A1 METHOD FOR PRODUCING POLYHYDRIC PHENOL HPD, HAAO, SCO2 ERBB2 4244/4885PIM1 2964/4885CYP2D6 172/4885

“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.