SCHEMBL4171208

SCHEMBL4171208

CC(C)(Cc1ccc(O)cc1)NC(=O)O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 5/20 0.59
MEN1 O00255 1/20 0.57
TSHR P16473 1/20 0.57
KMT2A Q03164 1/20 0.57
BLM P54132 1/20 0.56
OPRM1 P35372 2/20 0.51
OPRD1 P41143 2/20 0.51
OPRK1 P41145 2/20 0.51
ALDH1A1 P00352 2/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
ESR2 Q92731 4/20 0.48
KDM4E B2RXH2 1/20 0.44
CA2 P00918 1/20 0.44
CAMK2A Q9UQM7 1/20 0.44
SLC7A5 Q01650 1/20 0.42
LMNA P02545 1/20 0.41
CYP2D6 P10635 1/20 0.41
HPGD P15428 1/20 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
SCHEMBL27461036 0.85 CYP3A4 (0.50) ESR1MEN1TSHRKMT2ABLM
SCHEMBL5948337 0.85 CYP3A4 (0.67) OPRM1OPRD1OPRK1ALDH1A1CYP3A4
SCHEMBL28794058 0.84 CYP2C9 (0.49) MEN1TSHRKMT2ABLMOPRM1
SCHEMBL9718295 0.84 KDM4E (0.57) MEN1TSHRKMT2AALDH1A1CYP3A4
SCHEMBL1998840 0.84 CYP3A4 (0.49) ESR1MEN1TSHRKMT2ABLM
SCHEMBL16041240 0.84 ALDH1A1 (0.49) MEN1TSHRKMT2AOPRM1OPRD1
SCHEMBL28014304 0.82 SSTR4 (0.47) ESR1MEN1TSHRKMT2ABLM
SCHEMBL28135047 0.82 ALDH1A1 (0.51) ESR1MEN1TSHRKMT2ABLM
SCHEMBL4328760 0.82 BLM (0.57) ESR1MEN1TSHRKMT2ABLM
SCHEMBL1932047 0.80 RAB9A (0.49) MEN1TSHRKMT2AOPRM1OPRD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090181961-A1 NOVEL MEDICAMENTS FOR THE TREATMENT OF RESPIRATORY DISEASES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-07-16 US disclosed
EP-1999107-A2 AMINE DERIVATIVES Pfizer Limited (GB) 2008-12-10 EP disclosed
US-20080167298-A1 MEDICAMENTS FOR THE TREATMENT OF CHRONIC OBSTRUCTIVE PULMONARY DISEASE BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2008-07-10 US disclosed
WO-2007107828-A2 AMINE DERIVATIVES PFIZER LIMITED (GB) 2007-09-27 WO disclosed
US-20050272726-A1 Novel medicaments for the treatment of respiratory diseases BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-12-08 US disclosed
US-20050256115-A1 Aerosol formulation for the inhalation of beta-agonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-11-17 US disclosed
US-20050239778-A1 Novel medicament combinations for the treatment of respiratory diseases BOEHRINGER INGELHEIM INTERNATIONAL GMBH 2005-10-27 US disclosed
US-20050222144-A1 Medicaments for the treatment of chronic obstructive pulmonary disease BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2005-10-06 US disclosed
US-20040147513-A1 New medicaments for the treatment of chronic obstructive pulmonary disease BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-07-29 US disclosed
WO-1997034905-A1 PHOSPHORUS CONTAINING ARYLOXY AND ARYLTHIOPROPANOL AMINE DERIVATIVES USEFUL AS BETA ADRENORECEPTOR AGONISTS SMITHKLINE BEECHAM PLC (GB) 1997-09-25 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 (7 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-20080167298-A1 MEDICAMENTS FOR THE TREATMENT OF CHRONIC OBSTRUCTIVE PULMONARY DISEASE H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, SLC26A4, CHRM1 ESR1 2528/4885MEN1 2493/4885TSHR 2401/4885
US-20050256115-A1 Aerosol formulation for the inhalation of beta-agonists ADRB1, ADRB2, ADRB3 ESR1 1741/4885MEN1 2115/4885TSHR 505/4885
US-20090181961-A1 NOVEL MEDICAMENTS FOR THE TREATMENT OF RESPIRATORY DISEASES MRGPRX2, MRGPRX1, CFTR ESR1 3806/4885MEN1 1870/4885TSHR 2426/4885
US-20050222144-A1 Medicaments for the treatment of chronic obstructive pulmonary disease H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, SLC26A4, CHRM1 ESR1 2514/4885MEN1 2509/4885TSHR 2408/4885
US-20050272726-A1 Novel medicaments for the treatment of respiratory diseases MRGPRX2, MRGPRX1, CFTR ESR1 3806/4885MEN1 1870/4885TSHR 2426/4885
US-20040147513-A1 New medicaments for the treatment of chronic obstructive pulmonary disease CLIC1, OTC, SLC10A1 ESR1 4435/4885MEN1 3909/4885TSHR 3787/4885
US-20050239778-A1 Novel medicament combinations for the treatment of respiratory diseases MRGPRX2, MRGPRX1, MTNR1B ESR1 3895/4885MEN1 2549/4885TSHR 1866/4885

“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.