SCHEMBL679245

SCHEMBL679245

COC(=O)CCc1c(C(=O)c2ccc(Cl)cc2)oc2cc(O)ccc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.46
KDM4E B2RXH2 4/20 0.46
GLA P06280 3/20 0.46
GAA P10253 3/20 0.46
HPGD P15428 3/20 0.45
CASP1 P29466 2/20 0.45
CASP7 P55210 2/20 0.45
HSD17B10 Q99714 2/20 0.45
HTT P42858 3/20 0.45
LMNA P02545 2/20 0.45
SLC22A12 Q96S37 1/20 0.43
NPSR1 Q6W5P4 3/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
MAPT P10636 3/20 0.42
ALOX12 P18054 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
ESR1 P03372 1/20 0.41
ESR2 Q92731 1/20 0.41
CA12 O43570 2/20 0.41

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
SCHEMBL27445439 0.88 SMN1; SMN2 (0.43) ALDH1A1KDM4EHPGDHSD17B10HTT
SCHEMBL12013388 0.88 HTT (0.47) ALDH1A1KDM4EGLAGAAHPGD
SCHEMBL4437800 0.86 ALDH1A1 (0.52) ALDH1A1KDM4EGLAGAAHPGD
SCHEMBL8550054 0.86 SLC22A12 (0.44) ALDH1A1KDM4EGLAGAAHPGD
SCHEMBL9070589 0.85 CA12 (0.43) ALDH1A1KDM4EHPGDHTTNPSR1
SCHEMBL8306870 0.85 ALDH1A1 (0.39) ALDH1A1KDM4EGLAGAAHPGD
SCHEMBL27445438 0.82 SMN1; SMN2 (0.46) ALDH1A1KDM4EHPGDHSD17B10HTT
SCHEMBL5964314 0.81 HTT (0.46) ALDH1A1KDM4EHPGDHTTLMNA
SCHEMBL8548676 0.81 NPC1 (0.46) ALDH1A1KDM4EGLAGAAHPGD
SCHEMBL8326230 0.81 CYP19A1 (0.44) ALDH1A1KDM4EGLAGAAHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7803760-B2 Methods of inducing ovulation MERCK SERONO SA (CH) 2010-09-28 US claimed
JP-4532115-B2 2010-08-25 JP claimed
US-20080293622-A1 METHODS OF INDUCING OVULATION MERCK SERONO SA (CH) 2008-11-27 US claimed
US-6953774-B2 Methods of inducing ovulation APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (NL) 2005-10-11 US claimed
US-20050148501-A1 Methods of inducing ovulation using a non-polypeptide camp level modulator MERCK SERONO SA (CH) 2005-07-07 US claimed
EP-1463493-A1 METHODS OF INDUCING OVULATION-USING A NON-POLYPEPTIDE CAMP LEVEL MODULATOR Applied Research Systems ARS Holding N.V. (AN) 2004-10-06 EP claimed
WO-2003051344-A1 METHODS OF INDUCING OVULATION_USING A NON-POLYPEPTIDE CAMP LEVEL MODULATOR APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2003-06-26 WO claimed
US-20020103106-A1 Methods of inducing ovulation MERCK SERONO SA (CH) 2002-08-01 US claimed
US-9890132-B2 Process for the preparation of anti-inflammatory aroylbenzofuran compounds COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2018-02-13 US disclosed
US-20160229827-A1 A PROCESS FOR THE PREPARATION OF ANTI-INFLAMMATORY AROYLBENZOFURAN COMPOUNDS COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2016-08-11 US disclosed
US-20160229827-A1 A PROCESS FOR THE PREPARATION OF ANTI-INFLAMMATORY AROYLBENZOFURAN COMPOUNDS COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2016-08-11 US disclosed
WO-2015029062-A1 A PROCESS FOR THE PREPARATION OF ANTI-INFLAMMATORY AROYLBENZOFURAN COMPOUNDS COUNCIL OF SCIENTIFIC AND INDUSTRIAL RSEARCH (IN) 2015-03-05 WO disclosed
US-20110319386-A1 NEUROGENESIS BY MUSCARINIC RECEPTOR MODULATION BRAINCELLS INC. (US) 2011-12-29 US disclosed
US-20110269717-A1 NEUROGENESIS BY MODULATING ANGIOTENSIN BRAINCELLS INC. (US) 2011-11-03 US disclosed
US-20050148501-A1 Methods of inducing ovulation using a non-polypeptide camp level modulator MERCK SERONO SA (CH) 2005-07-07 US disclosed
EP-1463493-A1 METHODS OF INDUCING OVULATION-USING A NON-POLYPEPTIDE CAMP LEVEL MODULATOR Applied Research Systems ARS Holding N.V. (AN) 2004-10-06 EP disclosed
WO-2004047817-A1 PDE4 AND PDE3/4 INHIBITORS FOR USE IN THE TREATMENT OF CACHEXIA ALTANA PHARMA AG (DE) 2004-06-10 WO disclosed
WO-2003051344-A1 METHODS OF INDUCING OVULATION_USING A NON-POLYPEPTIDE CAMP LEVEL MODULATOR APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2003-06-26 WO disclosed
WO-2003024488-A2 COMBINATION OF A PDE INHIBITOR AND A LEUKOTRIENE RECEPTOR ANTAGONIST ALTANA PHARMA AG (DE) 2003-03-27 WO disclosed
US-20020103106-A1 Methods of inducing ovulation MERCK SERONO SA (CH) 2002-08-01 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 (6 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-20110319386-A1 NEUROGENESIS BY MUSCARINIC RECEPTOR MODULATION CHRNB2, CHAT, CHRNB4 ALDH1A1 2164/4885KDM4E 2095/4885GLA 1316/4885
US-20160229827-A1 A PROCESS FOR THE PREPARATION OF ANTI-INFLAMMATORY AROYLBENZOFURAN COMPOUNDS LITAF, IL1B, CYP2F1 ALDH1A1 253/4885KDM4E 2789/4885GLA 604/4885
US-20050148501-A1 Methods of inducing ovulation using a non-polypeptide camp level modulator PDE4A, PDE4B, PDE4C ALDH1A1 3807/4885KDM4E 2217/4885GLA 3202/4885
US-20110269717-A1 NEUROGENESIS BY MODULATING ANGIOTENSIN NGF, DCX, BDNF ALDH1A1 1565/4885KDM4E 2527/4885GLA 1358/4885
US-20020103106-A1 Methods of inducing ovulation PDE4A, PDE4B, PDE4C ALDH1A1 2698/4885KDM4E 1879/4885GLA 2582/4885
US-20080293622-A1 METHODS OF INDUCING OVULATION PDE4A, PDE4B, PDE4C ALDH1A1 2680/4885KDM4E 1923/4885GLA 2554/4885

“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.