SCHEMBL4187481

SCHEMBL4187481

CCCCCCCCN1CCN(c2ccc(C(=O)O)cc2)CC1

nearest known ligand 0.68

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.65
GAA P10253 1/20 0.65
S1PR1 P21453 1/20 0.56
THRA P10827 1/20 0.56
THRB P10828 1/20 0.56
KCNH2 Q12809 2/20 0.55
HDAC3 O15379 3/20 0.53
HDAC8 Q9BY41 3/20 0.53
USP2 O75604 1/20 0.50
DRD2 P14416 1/20 0.50
SIGMAR1 Q99720 1/20 0.50

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
SCHEMBL10901038 1.00 KDM4E (0.65) KDM4EGAAS1PR1THRATHRB
Hydrochloric Acid SCHEMBL10899527 0.99 KDM4E (0.63) KDM4EGAAS1PR1THRATHRB
SCHEMBL1280837 0.99 KDM4E (0.62) KDM4EGAAS1PR1THRATHRB
SCHEMBL4238787 0.94 KDM4E (0.56) KDM4EGAAS1PR1THRATHRB
SCHEMBL4237793 0.89 DRD2 (0.53) KDM4EGAAS1PR1THRATHRB
SCHEMBL1305865 0.88 DRD2 (0.65) KDM4EGAAUSP2DRD2SIGMAR1
Hydrochloric Acid SCHEMBL1841012 0.87 DRD2 (0.63) KDM4EGAAUSP2DRD2SIGMAR1
SCHEMBL10901028 0.84 KDM4E (0.59) KDM4EGAATHRATHRBKCNH2
SCHEMBL1663641 0.84 DRD2 (0.54) KDM4EKCNH2USP2DRD2
SCHEMBL10901455 0.83 S1PR1 (0.64) KDM4EGAAS1PR1KCNH2

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
US-20220296579-A1 COMPOSITIONS AND METHODS FOR PROVIDING CARDIOPROTECTIVE EFFECTS CORNELL UNIVERSITY (US) 2022-09-22 US disclosed
US-11191755-B2 Compositions and methods for providing cardioprotective effects CORNELL UNIVERSITY (US) 2021-12-07 US disclosed
US-11160769-B2 Methods of treating metabolic syndrome related conditions using retinoic acid receptor agonists CORNELL UNIVERSITY (US) 2021-11-02 US disclosed
US-20090176837-A1 COMPOUNDS WITH ACTIVITY AT RETINOIC ACID RECEPTORS SONY CORPORATION (JP) 2009-07-09 US disclosed
US-20090176837-A1 COMPOUNDS WITH ACTIVITY AT RETINOIC ACID RECEPTORS SONY CORPORATION (JP) 2009-07-09 US disclosed
US-20090176837-A1 COMPOUNDS WITH ACTIVITY AT RETINOIC ACID RECEPTORS SONY CORPORATION (JP) 2009-07-09 US disclosed
EP-1907347-A2 COMPOUNDS WITH ACTIVITY AT RETINOIC ACID RECEPTORS Arcadia Pharmaceuticals Inc. (US) 2008-04-09 EP disclosed
WO-2007009083-A2 COMPOUNDS WITH ACTIVITY AT RETINOIC ACID RECEPTORS ACADIA PHARMACEUTICALS INC. (US) 2007-01-18 WO disclosed
WO-2007009083-A2 COMPOUNDS WITH ACTIVITY AT RETINOIC ACID RECEPTORS ACADIA PHARMACEUTICALS INC. (US) 2007-01-18 WO 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 (4 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-20220296579-A1 COMPOSITIONS AND METHODS FOR PROVIDING CARDIOPROTECTIVE EFFECTS RARB, RARG, RARA KDM4E 4325/4885GAA 2453/4885S1PR1 1216/4885
US-11191755-B2 Compositions and methods for providing cardioprotective effects RARB, RARG, RARA KDM4E 4325/4885GAA 2453/4885S1PR1 1216/4885
US-11160769-B2 Methods of treating metabolic syndrome related conditions using retinoic acid receptor agonists RARA, RARG, RXRA KDM4E 4533/4885GAA 336/4885S1PR1 2320/4885
US-20090176837-A1 COMPOUNDS WITH ACTIVITY AT RETINOIC ACID RECEPTORS RARB, RARA, RARG KDM4E 4405/4885GAA 789/4885S1PR1 1599/4885

“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.