SCHEMBL2860893

SCHEMBL2860893

Cc1ccc(C2(C(=O)O)CCCCC2)cc1

nearest known ligand 0.66

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AKR1C1 Q04828 1/20 0.66
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
TSHR P16473 1/20 0.55
CYP2C19 P33261 2/20 0.50
MAPT P10636 2/20 0.48
HTR1E P28566 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
S1PR3 Q99500 1/20 0.48
HDAC4 P56524 3/20 0.47
CYP1A2 P05177 1/20 0.47
KDM4E B2RXH2 1/20 0.44
HPGD P15428 1/20 0.44
ALDH1A1 P00352 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
HSD11B1 P28845 3/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42

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
SCHEMBL3821416 1.00 AKR1C1 (0.66) AKR1C1MEN1KMT2ATSHRCYP2C19
SCHEMBL1048151 0.98 AKR1C1 (0.68) AKR1C1MEN1KMT2ATSHRCYP2C19
SCHEMBL3485961 0.94 AKR1C1 (0.62) AKR1C1MEN1KMT2ATSHRCYP2C19
SCHEMBL351393 0.90 AKR1C1 (0.55) AKR1C1MEN1KMT2ATSHRCYP2C19
SCHEMBL15912397 0.85 CYP2C19 (0.50) AKR1C1MEN1KMT2ATSHRCYP2C19
SCHEMBL9577294 0.83 AKR1C1 (0.48) AKR1C1MEN1KMT2ATSHRMAPT
SCHEMBL4810246 0.83 MAPT (0.47) AKR1C1MEN1KMT2ATSHRMAPT
SCHEMBL9685778 0.83 CYP2C19 (0.49) AKR1C1MEN1KMT2ATSHRCYP2C19
SCHEMBL4992446 0.83 LMNA (0.59) AKR1C1MEN1KMT2ATSHRMAPT
SCHEMBL2443314 0.82 MAPT (0.49) AKR1C1MEN1KMT2ATSHRMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114790136-A Preparation method and application of active trivalent organic chromium compound 中国石油天然气股份有限公司 2022-07-26 CN claimed
EP-3515880-B1 METHODS AND COMPOSITIONS FOR SYNTHESIS OF ENCODED LIBRARIES HITGEN INC (CN) 2023-05-10 EP disclosed
CN-114790136-A Preparation method and application of active trivalent organic chromium compound 中国石油天然气股份有限公司 2022-07-26 CN disclosed
US-20200149034-A1 Methods and Compositions for Synthesis of Encoded Libraries HITGEN INC. (CN) 2020-05-14 US disclosed
CN-105899507-B Aryl sultam derivative as RORc regulator 豪夫迈·罗氏有限公司 2019-06-07 CN disclosed
CN-105899507-A Aryl sultam derivatives as rorc modulators 豪夫迈·罗氏有限公司 2016-08-24 CN disclosed
EP-2718280-B1 COMPOUNDS HAVING MUSCARINIC RECEPTOR ANTAGONIST AND BETA2 ADRENERGIC RECEPTOR AGONIST ACTIVITY CHIESI FARMA SPA (IT) 2015-09-16 EP disclosed
US-8877774-B2 Compounds having muscarinic receptor antagonist and beta2 Adrenergic receptor agonist activity CHIESI FARMACEUTICI S.P.A. (IT) 2014-11-04 US disclosed
EP-2718280-A1 COMPOUNDS HAVING MUSCARINIC RECEPTOR ANTAGONIST AND BETA2 ADRENERGIC RECEPTOR AGONIST ACTIVITY Chiesi Farmaceutici S.p.A. (IT) 2014-04-16 EP disclosed
CN-103562198-A Compounds having muscarinic receptor antagonist and beta2 adrenergic receptor agonist activity CHIESI FARMA SPA 2014-02-05 CN disclosed
US-6984642-B1 Substituted phenylcyclohexane carboxylic acid amides and their use as adenosine uptake inhibitors BAYER AKTIENGESELLSCHAFT (DE) 2006-01-10 US disclosed
US-20050234106-A1 Cycloalkyl inhibitors of potassium channel function LLOYD JOHN 2005-10-20 US disclosed
EP-1583736-A1 CARBAMIC ACID COMPOUNDS COMPRISING AN ESTER OR KETONE LINKAGE AS HDAC INHIBITORS TopoTarget UK Limited (GB) 2005-10-12 EP disclosed
WO-2004065354-A1 CARBAMIC ACID COMPOUNDS COMPRISING AN ESTER OR KETONE LINKAGE AS HDAC INHIBITORS TOPOTARGET UK LIMITED (GB) 2004-08-05 WO disclosed
EP-1091958-A1 SALTS OF PAROXETINE SMITHKLINE BEECHAM PLC (GB) 2001-04-18 EP disclosed
WO-2000001692-A1 SALTS OF PAROXETINE SMITHKLINE BEECHAM PLC (GB) 2000-01-13 WO disclosed
EP-0564924-B1 2-Oxoethyl derivatives as immunosuppressants BAYER AG (US) 1998-09-09 EP disclosed
US-5686424-A FOR TREATING INFLAMMATION MILES INC. (US) 1997-11-11 US disclosed
EP-0564924-A2 2-Oxoethyl derivatives as immunosuppressants Bayer Corporation (US) 1993-10-13 EP disclosed
US-4247597-A Electroscopic carrier particles having a carboxylic acid surface treatment PITNEY BOWES, INC. (US) 1981-01-27 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 (1 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-20050234106-A1 Cycloalkyl inhibitors of potassium channel function KCNJ2, KCNN3, KCNQ5 AKR1C1 1009/4885MEN1 4430/4885KMT2A 1396/4885

“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.