SCHEMBL2535205

SCHEMBL2535205

O=C(O)C1(c2cccc(F)c2)CCC1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C1 Q04828 2/20 0.59
APP P05067 2/20 0.46
CYP2C9 P11712 2/20 0.46
CYP2C19 P33261 2/20 0.46
ALDH1A1 P00352 2/20 0.46
CYP3A4 P08684 1/20 0.46
LMNA P02545 1/20 0.45
TSHR P16473 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
P2RX7 Q99572 1/20 0.44
HSD11B1 P28845 1/20 0.44
AKR1C3 P42330 2/20 0.44
AKR1C2 P52895 2/20 0.44
OPRM1 P35372 1/20 0.43
OPRL1 P41146 1/20 0.43
CCR2 P41597 1/20 0.43
CYP2D6 P10635 1/20 0.42
GAA P10253 1/20 0.42
MAPT P10636 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
SCHEMBL30487797 0.97 AKR1C1 (0.65) AKR1C1APPCYP2C9CYP2C19ALDH1A1
SCHEMBL2079237 0.97 AKR1C1 (0.65) AKR1C1APPCYP2C9CYP2C19ALDH1A1
SCHEMBL3219884 0.95 AKR1C1 (0.62) AKR1C1APPCYP2C9CYP2C19ALDH1A1
SCHEMBL435932 0.95 AKR1C1 (0.62) AKR1C1APPCYP2C9CYP2C19ALDH1A1
SCHEMBL301111 0.93 AKR1C1 (0.53) AKR1C1APPCYP2C9CYP2C19CYP3A4
Bromodichloroacetic Acid SCHEMBL7813487 0.87 AKR1C1 (0.53) AKR1C1APPCYP2C9CYP2C19ALDH1A1
SCHEMBL1626768 0.85 ALDH1A1 (0.48) AKR1C1APPCYP2C9CYP2C19ALDH1A1
SCHEMBL5768673 0.85 AKR1C1 (0.46) AKR1C1APPCYP2C9CYP2C19CYP3A4
SCHEMBL6505689 0.85 CYP2D6 (0.48) AKR1C1APPCYP2C9CYP2C19ALDH1A1
SCHEMBL10002509 0.85 LMNA (0.48) AKR1C1ALDH1A1LMNATSHRNPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220363662-A1 COMPOUNDS AS LXR AGONISTS Integral Biosciences Privated Limited (IN) 2022-11-17 US disclosed
WO-2022224166-A1 COMPOUNDS AS LXR AGONISTS INTEGRAL BIOSCIENCES PRIVATE LIMITED (IN) 2022-10-27 WO disclosed
CN-106957285-B Amino New cyclobutane derivative, preparation method and its purposes as drug 皮埃尔法布雷医药公司 2019-05-03 CN disclosed
EP-2200440-B1 ANTIBACTERIAL AMIDE AND SULFONAMIDE SUBSTITUTED HETEROCYCLIC UREA COMPOUNDS CRESTONE INC (US) 2017-07-19 EP disclosed
US-8044075-B2 IL-8 receptor antagonists GLAXOSMITHKLINE (US) 2011-10-25 US disclosed
US-20100298387-A1 IL-8 Receptor Antagonists SMITHKLINE BEECHAM CORPORATION 2010-11-25 US disclosed
US-6124354-A TREATMENT OF URINARY INCONTINENCE OR IRRITABLE BOWEL SYNDROME PHARMACIA & UPJOHN AB (SE) 2000-09-26 US disclosed
EP-0923536-A1 ARYLCYCLOALKANE CARBOXYLIC ESTERS, THEIR USE, PHARMACEUTICAL COMPOSITIONS AND PREPARATION Pharmacia & Upjohn Aktiebolag (SE) 1999-06-23 EP disclosed
WO-1998004517-A1 ARYLCYCLOALKANE CARBOXYLIC ESTERS, THEIR USE, PHARMACEUTICAL COMPOSITIONS AND PREPARATION PHARMACIA & UPJOHN AB (SE) 1998-02-05 WO disclosed
US-5525742-A IDENTIFICATION OF BIOCHEMICAL COMPONENTS FORMING ATP-SENSITIVE POTASSIUM CHANNELS IN SMOOTH MUSCLE CELLS THE UPJOHN COMPANY (US) 1996-06-11 US disclosed
US-5194437-A Substituted with oxygen containing heterocycle, central nervous system disorders, neuroendocrine disorders ADIR ET COMPAGNIE (FR) 1993-03-16 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 (2 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-20100298387-A1 IL-8 Receptor Antagonists CXCL8, CCR8, IL1RN AKR1C1 1599/4885APP 1915/4885CYP2C9 3052/4885
US-20220363662-A1 COMPOUNDS AS LXR AGONISTS NR1H2, NR1H3, NR1H4 AKR1C1 277/4885APP 148/4885CYP2C9 337/4885

“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.