SCHEMBL3889929

SCHEMBL3889929

CCOC(=O)C(CCC(CC)CC)P(=O)(O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
POLB P06746 1/20 0.41
ALDH1A1 P00352 4/20 0.36
TSHR P16473 3/20 0.36
FDPS P14324 2/20 0.33
LAP3 P28838 1/20 0.33
FOLH1 Q04609 1/20 0.33
CYP3A4 P08684 2/20 0.33
TDP1 Q9NUW8 2/20 0.33
ALOX15 P16050 2/20 0.33
LMNA P02545 1/20 0.32
HSD17B10 Q99714 1/20 0.32
ATM Q13315 1/20 0.32
MGAM O43451 1/20 0.31
GAA P10253 1/20 0.31
SI P14410 1/20 0.31
MGAM2 Q2M2H8 1/20 0.31
SOAT1 P35610 1/20 0.31

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
SCHEMBL1932711 0.83 CYP2D6 (0.40) CYP2D6CYP2C9CYP2C19POLBALDH1A1
SCHEMBL3672437 0.82 POLB (0.56) CYP2D6CYP2C9CYP2C19POLBALDH1A1
SCHEMBL829655 0.82 CYP2D6 (0.44) CYP2D6CYP2C9CYP2C19POLBALDH1A1
SCHEMBL7718923 0.79 FDPS (0.50) CYP2D6CYP2C9CYP2C19POLBFDPS
Butane SCHEMBL2052354 0.79 POLB (0.44) CYP2D6CYP2C9CYP2C19POLBALDH1A1
SCHEMBL27811200 0.76 FDPS (0.53) FDPSLAP3
SCHEMBL27811198 0.76 FDPS (0.53) FDPSLAP3
SCHEMBL4268938 0.76 FDPS (0.53) FDPSLAP3
SCHEMBL17053099 0.76 FDPS (0.53) FDPSLAP3
Oxirane SCHEMBL4333005 0.74 TSHR (0.42) CYP2D6CYP2C9CYP2C19POLBALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2928457-B1 CYCLOPROPYLAMINE DERIVATIVES USEFUL AS INHIBITORS OF HISTONE DEMETHYLASES KDM1A ST EUROPEO DI ONCOLOGIA S R L (IT) 2020-08-12 EP disclosed
US-9944589-B2 Cycloproplyamine derivatives useful as inhibitors of histone demethylases KDM1A ISTITUTO EUROPEO DI ONCOLOGIA S.R.L. (IT) 2018-04-17 US disclosed
US-20150315126-A1 CYCLOPROPYLAMINE DERIVATIVES USEFUL AS INHIBITORS OF HISTONE DEMETHYLASES KDM1A ISTITUTO EUROPEO DI ONCOLOGIA S.R.L. (IT) 2015-11-05 US disclosed
EP-2928457-A1 CYCLOPROPYLAMINE DERIVATIVES USEFUL AS INHIBITORS OF HISTONE DEMETHYLASES KDM1A Istituto Europeo di Oncologia S.r.l. (IT) 2015-10-14 EP disclosed
WO-2014086790-A1 CYCLOPROPYLAMINE DERIVATIVES USEFUL AS INHIBITORS OF HISTONE DEMETHYLASES KDM1A ISTITUTO EUROPEO DI ONCOLOGIA S.R.L. (IT) 2014-06-12 WO disclosed
US-8383652-B2 Biaromatic compounds that modulate PPAR-receptors GALDERMA RESEARCH & DEVELOPMENT (FR) 2013-02-26 US disclosed
US-20090036489-A1 Novel Cyclic Aminophenylalkanoic Acid Derivative KYORIN PHARMACEUTICAL CO., LTD. (JP) 2009-02-05 US disclosed
US-20090012129-A1 NOVEL BIAROMATIC COMPOUNDS THAT MODULATE PPAR-RECEPTORS GALDERMA RESEARCH & DEVELOPMENT (FR) 2009-01-08 US disclosed
CN-101296897-A PPAR-modulating biaromatic compounds GALDERMA RES & DEV (FR) 2008-10-29 CN disclosed
EP-1943213-A2 PPAR MODULATING BIAROMATIC COMPOUNDS Galderma Research & Development (FR) 2008-07-16 EP disclosed
EP-0344979-B1 Alfa-adrenergic receptor antagonists SMITHKLINE BEECHAM CORP (US) 1994-11-09 EP disclosed
US-4963547-A HYPOTENSIVE AGENTS SMITHKLINE BEECHAM CORPORATION (US) 1990-10-16 US disclosed
US-4959360-A α-adrenergic receptor antagonists SMITHKLINE BEECHAM CORPORATION (US) 1990-09-25 US disclosed
WO-1989012050-A1 alpha-ADRENERGIC RECEPTOR ANTAGONISTS SMITHKLINE BECKMAN CORPORATION (US) 1989-12-14 WO disclosed
WO-1989012054-A1 alpha-ADRENERGIC RECEPTOR ANTAGONISTS SMITHKLINE BECKMAN CORPORATION (US) 1989-12-14 WO disclosed
EP-0344979-A2 Alfa-adrenergic receptor antagonists SMITHKLINE BEECHAM CORPORATION (US) 1989-12-06 EP disclosed
EP-0344980-A2 Alpha-adrenergic receptor antagonists SMITHKLINE BEECHAM CORPORATION (US) 1989-12-06 EP disclosed
US-4694023-A Alpha-alkyl polyolefinic carboxylic acids and derivatives thereof useful in the treatment of psoriasis and allergic responses USV PHARMACEUTICAL CORPORATION (US) 1987-09-15 US disclosed
US-4534979-A Polyene compounds useful in the treatment of psoriasis and allergic responses USV PHARMACEUTICAL CORP. (US) 1985-08-13 US disclosed
US-4505930-A Alpha-alkyl polyolefinic carboxylic acids and derivatives thereof useful in the treatment of psoriasis and allergic responses USV PHARMACEUTICAL CORPORATION (US) 1985-03-19 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 (3 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-20150315126-A1 CYCLOPROPYLAMINE DERIVATIVES USEFUL AS INHIBITORS OF HISTONE DEMETHYLASES KDM1A KDM1A, KDM1B, KDM2A CYP2D6 2217/4885CYP2C9 3238/4885CYP2C19 3539/4885
US-20090012129-A1 NOVEL BIAROMATIC COMPOUNDS THAT MODULATE PPAR-RECEPTORS PPARG, PPARD, PPARA CYP2D6 301/4885CYP2C9 236/4885CYP2C19 122/4885
US-20090036489-A1 Novel Cyclic Aminophenylalkanoic Acid Derivative PPARA, PPARD, PPARG CYP2D6 363/4885CYP2C9 501/4885CYP2C19 395/4885

“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.