SCHEMBL16077976

SCHEMBL16077976

O=C(O)c1cn(C2CC2)c2cc(N3CCCCC3)c(F)cc2c1=O

nearest known ligand 0.80

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.80
ALDH1A1 P00352 4/20 0.80
LMNA P02545 3/20 0.80
HPGD P15428 2/20 0.80
HSD17B10 Q99714 2/20 0.80
CYP1A2 P05177 1/20 0.80
TOP2A P11388 1/20 0.80
CYP2C9 P11712 1/20 0.80
TOP2B Q02880 1/20 0.80
MAPT P10636 1/20 0.76
PIK3CG P48736 7/20 0.65
PIK3CD O00329 5/20 0.65
PIK3R1 P27986 5/20 0.65
PIK3CA P42336 5/20 0.65
HRH3 Q9Y5N1 1/20 0.63
HTT P42858 1/20 0.61
SMN1; SMN2 Q16637 1/20 0.61
CA1 P00915 1/20 0.58
CA2 P00918 1/20 0.58

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
SCHEMBL14159326 0.99 KDM4E (0.82) KDM4EALDH1A1LMNAHPGDHSD17B10
SCHEMBL9145542 0.97 KDM4E (0.82) KDM4EALDH1A1LMNAHPGDHSD17B10
SCHEMBL17510023 0.91 KDM4E (0.79) KDM4EALDH1A1LMNAHPGDHSD17B10
SCHEMBL30811901 0.91 KDM4E (0.73) KDM4EALDH1A1LMNAHPGDHSD17B10
SCHEMBL10566738 0.91 KDM4E (0.73) KDM4EALDH1A1LMNAHPGDHSD17B10
SCHEMBL1155029 0.90 KDM4E (0.78) KDM4EALDH1A1LMNAHPGDHSD17B10
SCHEMBL10736589 0.90 KDM4E (0.79) KDM4EALDH1A1LMNAHPGDHSD17B10
SCHEMBL10374013 0.90 KDM4E (0.79) KDM4EALDH1A1LMNAHPGDHSD17B10
SCHEMBL10373193 0.89 KDM4E (0.74) KDM4EALDH1A1LMNAHPGDHSD17B10
SCHEMBL10374148 0.89 KDM4E (0.74) KDM4EALDH1A1LMNAHPGDHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140275281-A1 Geranylgeranyl acetone and derivatives thereof for intranasal administration COYOTE PHARMACEUTICALS, INC. (US) 2014-09-18 US disclosed
US-20140275091-A1 Ocular formulations comprising geranylgeranylacetone derivatives for intraocular delivery COYOTE PHARMACEUTICALS, INC. 2014-09-18 US disclosed
US-8034817-B2 Inhalation of quinolinonecarboxylic acid compound BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2011-10-11 US disclosed
CN-1157389-C Quinoline carboxylic acid derivative or salt thereof ������ҩ��ʽ���� 2004-07-14 CN disclosed
CN-1358183-A Quinolinecarboxylic acid derivative or salts thereof WAKUZAGA PHARMACEUTICAL CO LTD (JP) 2002-07-10 CN 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-20140275281-A1 Geranylgeranyl acetone and derivatives thereof for intranasal administration GGPS1, NAA50, GAP43 KDM4E 4689/4885ALDH1A1 1579/4885LMNA 2669/4885
US-20140275091-A1 Ocular formulations comprising geranylgeranylacetone derivatives for intraocular delivery FNTA, GGPS1, GNPAT KDM4E 4505/4885ALDH1A1 380/4885LMNA 1906/4885

“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.