SCHEMBL7225494

SCHEMBL7225494

CN(C)CCCOc1ccccc1-c1ccc(C(=O)O)cc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.71
ALDH1A1 P00352 3/20 0.67
SMN1; SMN2 Q16637 2/20 0.67
HTR7 P34969 1/20 0.62
ADRB2 P07550 1/20 0.57
ADRB1 P08588 1/20 0.57
RXRA P19793 1/20 0.57
RXRB P28702 1/20 0.57
RXRG P48443 1/20 0.57
THRA P10827 1/20 0.52
THRB P10828 1/20 0.52
HRH1 P35367 1/20 0.49
LSS P48449 1/20 0.49
RARB P10826 1/20 0.48
RARG P13631 1/20 0.48
EGFR P00533 1/20 0.48
LMNA P02545 1/20 0.48
MAPK1 P28482 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48

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
SCHEMBL7222905 0.93 KDM4E (0.77) KDM4EALDH1A1SMN1; SMN2HTR7ADRB2
SCHEMBL8415073 0.85 HTR7 (0.84) KDM4EALDH1A1SMN1; SMN2HTR7ADRB2
SCHEMBL27552279 0.85 KDM4E (0.66) KDM4EALDH1A1SMN1; SMN2HTR7ADRB2
Hydrochloric Acid SCHEMBL11621730 0.84 HTR7 (0.81) KDM4EALDH1A1SMN1; SMN2HTR7ADRB2
SCHEMBL6266863 0.82 RARB (0.63) KDM4ERXRARXRBRXRGTHRA
SCHEMBL8986580 0.82 RARB (0.63) KDM4ERXRARXRBRXRGTHRA
Acetic Acid SCHEMBL11022362 0.82 KDM4E (0.87) KDM4EALDH1A1SMN1; SMN2HTR7ADRB2
SCHEMBL10871804 0.82 RARB (0.63) KDM4ERXRARXRBRXRGTHRA
SCHEMBL8769909 0.82 RARB (0.63) KDM4ERXRARXRBRXRGTHRA
SCHEMBL3977527 0.82 RARB (0.63) KDM4ERXRARXRBRXRGTHRA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030153604-A1 Substituted (aminoiminomethyl or aminomethyl) benzoheteroaryl compounds AVENTIS PHARMACEUTICALS INC. 2003-08-14 US claimed
US-6541505-B1 Inhibiting the activity of Factor Xa; treating a disease state associated with a physiologically detrimental excess amount of thrombin. AVENTIS PHARMACEUTICALS INC. 2003-04-01 US claimed
EP-1140901-A2 SUBSTITUTED (AMINOIMINOMETHYL OR AMINOMETHYL)BENZOHETEROARYL COMPOUNDS AS FACTOR XA INHIBITORS Aventis Pharmaceuticals Products Inc. (US) 2001-10-10 EP claimed
WO-2000039087-A2 SUBSTITUTED (AMINOIMINOMETHYL OR AMINOMETHYL)BENZOHETEROARYL COMPOUNDS AS FACTOR XA INHIBITORS AVENTIS PHARMACEUTICALS PRODUCTS INC. (US) 2000-07-06 WO claimed
US-20030153604-A1 Substituted (aminoiminomethyl or aminomethyl) benzoheteroaryl compounds AVENTIS PHARMACEUTICALS INC. 2003-08-14 US disclosed
US-6541505-B1 Inhibiting the activity of Factor Xa; treating a disease state associated with a physiologically detrimental excess amount of thrombin. AVENTIS PHARMACEUTICALS INC. 2003-04-01 US disclosed
EP-1140901-A2 SUBSTITUTED (AMINOIMINOMETHYL OR AMINOMETHYL)BENZOHETEROARYL COMPOUNDS AS FACTOR XA INHIBITORS Aventis Pharmaceuticals Products Inc. (US) 2001-10-10 EP disclosed
WO-2000039087-A2 SUBSTITUTED (AMINOIMINOMETHYL OR AMINOMETHYL)BENZOHETEROARYL COMPOUNDS AS FACTOR XA INHIBITORS AVENTIS PHARMACEUTICALS PRODUCTS INC. (US) 2000-07-06 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 (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-20030153604-A1 Substituted (aminoiminomethyl or aminomethyl) benzoheteroaryl compounds SERPINC1, F2, F11 KDM4E 1571/4885ALDH1A1 2804/4885SMN1; SMN2 2242/4885

“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.