SCHEMBL1133802

SCHEMBL1133802

COc1cc(OC)cc(C(C)O[C]=O)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.44
KMT2A Q03164 3/20 0.38
CYP1A1 P04798 3/20 0.35
CYP1B1 Q16678 3/20 0.35
PTGS2 P35354 4/20 0.33
CYP1A2 P05177 3/20 0.32
CYP2E1 P05181 2/20 0.32
CYP3A4 P08684 2/20 0.32
CYP2C8 P10632 2/20 0.32
CYP2D6 P10635 2/20 0.32
CYP2A6 P11509 2/20 0.32
CYP2C9 P11712 2/20 0.32
CYP4B1 P13584 2/20 0.32
CYP2B6 P20813 2/20 0.32
CYP3A5 P20815 2/20 0.32
CYP2A7 P20853 2/20 0.32
CYP3A7 P24462 2/20 0.32
CYP2F1 P24903 2/20 0.32
CYP2C18 P33260 2/20 0.32
CYP2C19 P33261 2/20 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
SCHEMBL7399351 0.88 ESR1 (0.40) ALDH1A1KMT2APTGS2AKR1C3AKR1C2
SCHEMBL7749051 0.82 AOC3 (0.45)
SCHEMBL8716433 0.80 RAB9A (0.46) ALDH1A1KMT2APTGS2CYP1A2CYP2D6
SCHEMBL4617166 0.73 CYP2D6 (0.37) ALDH1A1KMT2ACYP1A2CYP3A4CYP2D6
SCHEMBL28212652 0.72 ALDH1A1 (0.44) ALDH1A1KMT2ACYP1A1CYP1B1PTGS2
SCHEMBL5497954 0.72 ALDH1A1 (0.39) ALDH1A1KMT2ACYP1A1CYP1B1
SCHEMBL2125711 0.72 TAAR1 (0.42) ALDH1A1KMT2ATSHRMEN1
SCHEMBL5897956 0.72 ALDH1A1 (0.55) ALDH1A1KMT2ACYP1A1CYP1B1PTGS2
SCHEMBL40553 0.71 ALDH1A1 (0.61) ALDH1A1KMT2ACYP1A1CYP1B1PTGS2
SCHEMBL27643039 0.71 KMT2A (0.44) ALDH1A1KMT2APTGS2CYP1A2PTGS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150057431-A1 COMPOSITIONS FOR TREATING A DISEASE OR CONDITION ASSOCIATED WITH ABNORMAL ANGIOGENESIS COVX TECHNOLOGIES IRELAND LTD (IE) 2015-02-26 US disclosed
US-8937048-B2 Anti-angiogenic compounds COVX TECHNOLOGIES IRELAND, LIMITED (IE) 2015-01-20 US disclosed
US-8912148-B2 Methods of treating a disease or condition associated with abnormal angiogenesis COVX TECHNOLOGY IRELAND, LTD. (IE) 2014-12-16 US disclosed
EP-1997533-B1 Heterocyclic boronic acid compounds, dipeptidyl peptidase IV inhibitors PHENOMIX CORP (US) 2014-09-24 EP disclosed
EP-1689757-B1 HETEROCYCLIC BORONIC ACID COMPOUNDS PHENOMIX CORP (US) 2014-08-27 EP disclosed
US-8415295-B2 Heterocyclic boronic acid compounds PHENOMIX CORPORATION (US) 2013-04-09 US disclosed
US-20120321591-A1 ANTI-ANGIOGENIC COMPOUNDS COVX TECHNOLOGIES IRELAND, LIMITED 2012-12-20 US disclosed
US-20120301431-A1 METHODS OF TREATING A DISEASE OR CONDITION ASSOCIATED WITH ABNORMAL ANGIOGENESIS COVX TECHNOLOGIES IRELAND LTD. 2012-11-29 US disclosed
US-8299271-B2 Solid tartrate salts of DPP-IV inhibitors PHENOMIX CORPORATION (US) 2012-10-30 US disclosed
US-8293714-B2 Anti-angiogenic compounds COVX TECHNOLOGY IRELAND, LTD. (IE) 2012-10-23 US disclosed
WO-2007016356-A1 METHODS OF PREPARING HETERCYCLIC BORONIC ACIDS AND DERIVATIVES THEREOF PHENOMIX CORPORATION (US) 2007-02-08 WO disclosed
EP-1743676-A1 Heterocyclic boronic acid derivatives, dipeptidyl peptidase IV inhibitors Phenomix Corporation (US) 2007-01-17 EP disclosed
US-20060276410-A1 COMPOUNDS AND METHODS FOR SELECTIVE INHIBITION OF DIPEPTIDYL PEPTIDASE-IV Forest Laboratories Holding Limited (BM) 2006-12-07 US disclosed
US-20060264401-A1 METHYL AND ETHYL SUBSTITUTED PYRROLIDINE COMPOUNDS AND METHODS FOR SELECTIVE INHIBITION OF DIPEPTIDYL PEPTIDASE-IV PHENOMIX CORPORATION 2006-11-23 US disclosed
US-20060264400-A1 PYRROLIDINE COMPOUNDS AND METHODS FOR SELECTIVE INHIBITION OF DIPEPTIDYL PEPTIDASE-IV SINO-MED INTERNATIONAL ALLIANCE, INC. 2006-11-23 US disclosed
US-20060258621-A1 PYRROLIDINE COMPOUNDS AND METHODS FOR SELECTIVE INHIBITION OF DIPEPTIDYL PEPTIDASE-IV SINO-MED INTERNATIONAL ALLIANCE, INC. 2006-11-16 US disclosed
US-20060205670-A1 Conjugated to antibody; thrombospondin receptor targeting ZOETIS BELGIUM S.A. (BE) 2006-09-14 US disclosed
WO-2006094269-A2 ANTI-ANGIOGENIC COMPOUNDS COVX TECHNOLOGIES IRELAND LIMITED (IE) 2006-09-08 WO disclosed
WO-2004091542-A2 NITROGEN CONTAINING INTEGRIN TARGETING COMPOUNDS COVX PHARMACEUTICALS, INC. (US) 2004-10-28 WO disclosed
US-6124341-A A DRUG FOR TREATING HYPERTENSION, CONGESTIVE HEART FAILURE, RESTENOSIS FOLLOWING ARTERIAL INJURY, CEREBRAL OR MYOCARDIAL ISCHEMIA OR ATHEROSCLEROSIS; VASODILUTOR ABBOTT LABORATORIES (US) 2000-09-26 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 (8 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-20060276410-A1 COMPOUNDS AND METHODS FOR SELECTIVE INHIBITION OF DIPEPTIDYL PEPTIDASE-IV DPP4, DPP3, DPP7 ALDH1A1 792/4885KMT2A 4535/4885CYP1A1 2009/4885
US-20060205670-A1 Conjugated to antibody; thrombospondin receptor targeting TEK, KDR, FLT4 ALDH1A1 1830/4885KMT2A 3959/4885CYP1A1 4815/4885
US-20120301431-A1 METHODS OF TREATING A DISEASE OR CONDITION ASSOCIATED WITH ABNORMAL ANGIOGENESIS VEGFA, FLT4, TEK ALDH1A1 807/4885KMT2A 2356/4885CYP1A1 4792/4885
US-20150057431-A1 COMPOSITIONS FOR TREATING A DISEASE OR CONDITION ASSOCIATED WITH ABNORMAL ANGIOGENESIS VEGFA, TIE1, TEK ALDH1A1 1018/4885KMT2A 2729/4885CYP1A1 4770/4885
US-20060264400-A1 PYRROLIDINE COMPOUNDS AND METHODS FOR SELECTIVE INHIBITION OF DIPEPTIDYL PEPTIDASE-IV DPP4, DPP7, DPP3 ALDH1A1 983/4885KMT2A 2682/4885CYP1A1 3854/4885
US-20120321591-A1 ANTI-ANGIOGENIC COMPOUNDS VEGFA, FLT4, FLT1 ALDH1A1 2557/4885KMT2A 4308/4885CYP1A1 4877/4885
US-20060258621-A1 PYRROLIDINE COMPOUNDS AND METHODS FOR SELECTIVE INHIBITION OF DIPEPTIDYL PEPTIDASE-IV DPP4, DPP7, DPP3 ALDH1A1 1030/4885KMT2A 2805/4885CYP1A1 3881/4885
US-20060264401-A1 METHYL AND ETHYL SUBSTITUTED PYRROLIDINE COMPOUNDS AND METHODS FOR SELECTIVE INHIBITION OF DIPEPTIDYL PEPTIDASE-IV DPP4, DPP3, DPP7 ALDH1A1 1520/4885KMT2A 1313/4885CYP1A1 3692/4885

“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.