SCHEMBL6906512

SCHEMBL6906512

Nc1ccccc1N(C=O)c1cccc2c1CCCC2

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 1/20 0.38
RXRB P28702 1/20 0.38
RXRG P48443 1/20 0.38
BCL2L1 Q07817 1/20 0.38
BAD Q92934 1/20 0.38
TSHR P16473 1/20 0.34
CCNE2 O96020 1/20 0.34
CCNE1 P24864 1/20 0.34
CDK2 P24941 1/20 0.34
ALDH1A1 P00352 2/20 0.34
KDM4E B2RXH2 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
HPGD P15428 1/20 0.34
CYP2C19 P33261 1/20 0.34
DHFR P00374 1/20 0.33
METAP2 P50579 1/20 0.33
NOS3 P29474 2/20 0.33
NOS1 P29475 1/20 0.33

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
SCHEMBL7220660 0.85 BCL2L1 (0.38) RXRARXRBRXRGBCL2L1BAD
SCHEMBL29069380 0.72 RXRA (0.57) RXRARXRBRXRGBCL2L1BAD
SCHEMBL751800 0.71 BCL2L1 (0.56) BCL2L1BADTSHRCCNE2CCNE1
SCHEMBL30513686 0.71 BCL2L1 (0.56) BCL2L1BADTSHRCCNE2CCNE1
SCHEMBL6903434 0.70 ALDH1A1 (0.48) TSHRALDH1A1KDM4ECYP3A4HPGD
SCHEMBL8887944 0.70 RXRA (0.45) RXRARXRBRXRGBCL2L1BAD
SCHEMBL7952487 0.69 BCL2L1 (0.54) BCL2L1BADTSHRCCNE2CCNE1
SCHEMBL3801550 0.69 BCL2L1 (0.54) BCL2L1BADTSHRCCNE2CCNE1
Hydrochloric Acid SCHEMBL13857769 0.69 BCL2L1 (0.54) BCL2L1BADTSHRCCNE2CCNE1
SCHEMBL10789537 0.69 BCL2L1 (0.54) BCL2L1BADTSHRCCNE2CCNE1

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-6548548-B2 ABCA-1 elevating compounds CV THERAPEUTICS, INC. 2003-04-15 US claimed
EP-1379517-A2 ABCA-1 ELEVATING COMPOUNDS AGAINST CORONARY ARTERY DISEASE OR ATHEROSCLEROSIS CV THERAPEUTICS, INC. (US) 2004-01-14 EP disclosed
US-6548548-B2 ABCA-1 elevating compounds CV THERAPEUTICS, INC. 2003-04-15 US disclosed
US-20020111364-A1 ABCA-1 elevating compounds CV THERAPEUTICS, INC. 2002-08-15 US disclosed
WO-2002046181-A2 ABCA-1 ELEVATING COMPOUNDS AGAINST CORONARY ARTERY DISEASE OR ATHEROSCLEROSIS CV THERAPEUTICS, INC. (US) 2002-06-13 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-20020111364-A1 ABCA-1 elevating compounds ABCD3, ABCE1, ABCB4 RXRA 263/4885RXRB 328/4885RXRG 348/4885

“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.