SCHEMBL8555216

SCHEMBL8555216

CCOC(=O)C(CC)(CC)c1ccccc1P(=O)(O)O

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PIN1 Q13526 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.38
PTK2B Q14289 3/20 0.38
RXFP1 Q9HBX9 1/20 0.38
TSHR P16473 1/20 0.38
POLB P06746 5/20 0.37
ALDH1A1 P00352 3/20 0.37
RECQL P46063 1/20 0.37
MMP8 P22894 1/20 0.37
NPC1 O15118 2/20 0.36
ATM Q13315 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
RAB9A P51151 1/20 0.36
ALPG P10696 1/20 0.35
KDM4E B2RXH2 1/20 0.35

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
SCHEMBL28336711 0.75 PIN1 (0.42) PIN1TSHRPOLBALDH1A1RECQL
SCHEMBL8483586 0.73 PIN1 (0.53) PIN1SMN1; SMN2TSHRPOLBALDH1A1
SCHEMBL18334414 0.73 NPC1 (0.40) SMN1; SMN2PTK2BRXFP1TSHRPOLB
Ammonia Solution, Strong SCHEMBL10879989 0.71 PIN1 (0.51) PIN1SMN1; SMN2TSHRPOLBALDH1A1
SCHEMBL2547048 0.71 NPC1 (0.39) PTK2BTSHRPOLBALDH1A1NPC1
SCHEMBL28333271 0.71 CA12 (0.42) PIN1SMN1; SMN2TSHRPOLBALDH1A1
SCHEMBL9050955 0.71 PIN1 (0.41) PIN1SMN1; SMN2TSHRPOLBALDH1A1
SCHEMBL4042331 0.70 TSHR (0.67) PTK2BRXFP1TSHRALDH1A1MEN1
SCHEMBL1451743 0.70 PIN1 (0.43) PIN1SMN1; SMN2TSHRPOLBALDH1A1
SCHEMBL28779829 0.69 PIN1 (0.49) PIN1SMN1; SMN2TSHRPOLBALDH1A1

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 9 patents. 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
CN-105283177-B Cyclopropylamine derivatives useful as inhibitors of histone demethylase KDM1A 欧洲肿瘤研究所有限责任公司 2020-07-24 CN 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
EP-0749428-B1 ISOXAZOLINE COMPOUNDS AS INHIBITORS OF TNF RELEASE PFIZER (US) 1998-07-29 EP disclosed
EP-0730588-B1 ISOXAZOLINE COMPOUNDS AS ANTIINFLAMMATORY AGENTS PFIZER (US) 1997-07-02 EP disclosed
EP-0344980-A2 Alpha-adrenergic receptor antagonists SMITHKLINE BEECHAM CORPORATION (US) 1989-12-06 EP 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-20150315126-A1 CYCLOPROPYLAMINE DERIVATIVES USEFUL AS INHIBITORS OF HISTONE DEMETHYLASES KDM1A KDM1A, KDM1B, KDM2A PIN1 3264/4885SMN1; SMN2 2921/4885PTK2B 2984/4885

“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.