SCHEMBL393095

SCHEMBL393095

CC1(C(=O)O)c2ccccc2-c2ccccc21

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.59
TDP1 Q9NUW8 1/20 0.59
APEX1 P27695 1/20 0.47
PDK2 Q15119 5/20 0.41
ALDH1A1 P00352 3/20 0.41
MAPT P10636 1/20 0.41
ITGA4 P13612 1/20 0.41
KMT2A Q03164 1/20 0.40
PGR P06401 1/20 0.38
S100A4 P26447 1/20 0.38
AKR1C1 Q04828 1/20 0.38
HSP90AA1 P07900 1/20 0.38
HSP90AB1 P08238 1/20 0.38

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
Bromide SCHEMBL27743787 0.98 THRB (0.57) THRBTDP1APEX1PDK2ALDH1A1
Bromomethane SCHEMBL209152 0.96 THRB (0.55) THRBTDP1APEX1PDK2ALDH1A1
Propanol SCHEMBL27824438 0.87 THRB (0.47) THRBTDP1APEX1PDK2ALDH1A1
Nonane SCHEMBL27848744 0.87 TDP1 (0.47) THRBTDP1APEX1KMT2A
SCHEMBL6781995 0.83 THRB (0.47) THRBTDP1APEX1PDK2ALDH1A1
SCHEMBL4636505 0.82 THRB (0.48) THRBTDP1APEX1PDK2ALDH1A1
SCHEMBL9938667 0.80 THRB (0.47) THRBTDP1APEX1PDK2ALDH1A1
SCHEMBL30888607 0.80 THRB (0.47) THRBTDP1APEX1PDK2ALDH1A1
SCHEMBL27681372 0.78 THRB (0.39) THRBTDP1PDK2ALDH1A1MAPT
SCHEMBL17275574 0.78 THRB (0.46) THRBTDP1APEX1ALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080214600-A1 Quaternized Quinuclidine Esters ALMIRALL PRODESFARMA, SA (ES) 2008-09-04 US claimed
EP-1725552-B1 NEW QUATERNIZED QUINUCLIDINE ESTERS ALMIRALL LAB (ES) 2008-06-25 EP claimed
EP-1725552-A1 NEW QUATERNIZED QUINUCLIDINE ESTERS Almirall Prodesfarma, S.A. (ES) 2006-11-29 EP claimed
WO-2005090342-A1 NEW QUATERNIZED QUINUCLIDINE ESTERS ALMIRALL PRODESFARMA, SA (ES) 2005-09-29 WO claimed
EP-2152341-B2 ATOMIZER IN THE FORM OF AN INHALER FOR MEDICAL AEROSOL THERAPY BOEHRINGER INGELHEIM PHARMA (DE) 2025-04-02 EP disclosed
US-12209094-B2 CCR2 receptor antagonists and uses thereof CENTREXION THERAPEUTICS CORPORATION (US) 2025-01-28 US disclosed
US-20240109909-A1 CCR2 RECEPTOR ANTAGONISTS AND USES THEREOF ANKURA TRUST COMPANY, LLC, AS ADMINISTRATIVE AND COLLATERAL AGENT 2024-04-04 US disclosed
US-11731981-B2 CCR2 receptor antagonists and uses thereof CENTREXION THERAPEUTICS CORPORATION (US) 2023-08-22 US disclosed
US-11369760-B2 Inhalation atomizer comprising a blocking function and a counter ANOVENT PHARMACEUTICAL (U.S.), LLC (US) 2022-06-28 US disclosed
CN-110713489-B Heteroaryl SYK inhibitors 勃林格殷格翰国际有限公司 2022-05-31 CN disclosed
CN-110183440-B Heteroaryl SYK inhibitors 勃林格殷格翰国际有限公司 2022-04-22 CN disclosed
US-10947243-B2 Heteroaryl SYK inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2021-03-16 US disclosed
WO-2005013994-A1 MEDICAMENTS FOR INHALATION COMPRISING ANTICHOLINERGICS AND A BETAMIMETIC BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-02-17 WO disclosed
WO-2005013967-A1 MEDICAMENTS COMPRISING PDE IV INHIBITORS AND A NOVEL ANTICHOLINERGIC AND THEIR USE FOR TREATING RESPIRATORY DISORDERS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-02-17 WO disclosed
US-20050025718-A1 Medicaments for inhalation comprising an anticholinergic and a betamimetic BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-02-03 US disclosed
US-20050020622-A1 Fluorenecarboxylic acid esters, process for the manufacture thereof, and use thereof as medicaments BOEHRINGER INGELHEIM PHARMA KG (DE) 2005-01-27 US disclosed
US-6815452-B2 ANTIASTHMATIC AND ANTISPASMODIC AGENTS; CHRONIC OBSTRUCTIVE PULMONARY DISEASE Boehringer Ingelheim Pharma KG & Co GmbH (DE) 2004-11-09 US disclosed
US-6790856-B2 TROPANE 9-FLUORENE-9-CARBOXYLATE DERIVATIVES FOR TREATMENT ASTHMA, CHRONIC OBSTRACTIVE PULMONARY DISEASE, VAGALLY INDUCED SINUS BRADYCARDIA, HEART RHYTHM DISORDERS, SPASM IN URINARY OR GASTROINTESTINAL TRACTS AND MENSTRUAL PAIN BOEHRINGER INGELHEIM PHARMA KG (DE) 2004-09-14 US disclosed
US-20040157832-A1 Fluorenecarboxylic acid esters, process for the manufacture thereof, and use thereof as medicaments BOEHRINGER INGELHEIM PHARMA KG (DE) 2004-08-12 US disclosed
US-20030199539-A1 Fluorenecarboxylic acid esters, process for the manufacture thereof, and use thereof as medicaments BOEHRINGER INGELHEIM PHARMA KG (DE) 2003-10-23 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 (10 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-20080214600-A1 Quaternized Quinuclidine Esters NQO2, QPCT, QARS1 THRB 4152/4885TDP1 1963/4885APEX1 1347/4885
US-11731981-B2 CCR2 receptor antagonists and uses thereof CCR2, CCRL2, CCR1 THRB 1526/4885TDP1 4831/4885APEX1 3837/4885
US-10947243-B2 Heteroaryl SYK inhibitors SYK, BTK, CD40 THRB 1837/4885TDP1 2364/4885APEX1 2133/4885
US-11369760-B2 Inhalation atomizer comprising a blocking function and a counter ADRB2, ADRB1, ADRA2B THRB 1226/4885TDP1 4836/4885APEX1 1947/4885
US-20050020622-A1 Fluorenecarboxylic acid esters, process for the manufacture thereof, and use thereof as medicaments FPR1, AFF1, F12 THRB 3332/4885TDP1 2753/4885APEX1 3742/4885
US-20030199539-A1 Fluorenecarboxylic acid esters, process for the manufacture thereof, and use thereof as medicaments AFF1, FPR1, AFF4 THRB 3645/4885TDP1 3359/4885APEX1 4192/4885
US-20040157832-A1 Fluorenecarboxylic acid esters, process for the manufacture thereof, and use thereof as medicaments FPR1, AFF1, FPR3 THRB 3281/4885TDP1 2599/4885APEX1 3655/4885
US-20240109909-A1 CCR2 RECEPTOR ANTAGONISTS AND USES THEREOF CCR2, CCRL2, CCR1 THRB 1526/4885TDP1 4831/4885APEX1 3837/4885
US-12209094-B2 CCR2 receptor antagonists and uses thereof CCR2, CCRL2, CCR1 THRB 1526/4885TDP1 4831/4885APEX1 3837/4885
US-20050025718-A1 Medicaments for inhalation comprising an anticholinergic and a betamimetic ADRB2, CHRM3, ADRB1 THRB 804/4885TDP1 3302/4885APEX1 4598/4885

“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.