SCHEMBL6298518

SCHEMBL6298518

CC(C)N1CCOc2cc(-c3ccc(-c4ccc(C(=O)O)cc4)[nH]3)ccc21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARA P10276 6/20 0.45
RARB P10826 5/20 0.45
RARG P13631 5/20 0.45
NOTUM Q6P988 2/20 0.35
HDAC4 P56524 1/20 0.35
KDM5B Q9UGL1 1/20 0.35
DGAT1 O75907 2/20 0.34
NQO2 P16083 1/20 0.33
NTRK1 P04629 1/20 0.33
FLT3 P36888 1/20 0.33
NTRK3 Q16288 1/20 0.33
NTRK2 Q16620 1/20 0.33
CHRNA7 P36544 1/20 0.33
CYP11B1 P15538 1/20 0.32
CYP11B2 P19099 1/20 0.32
RXRA P19793 1/20 0.32
RXRB P28702 1/20 0.32
RXRG P48443 1/20 0.32
CDK4 P11802 1/20 0.32
CDK6 Q00534 1/20 0.32

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
SCHEMBL4293105 0.83 RARA (0.44) RARARARBRARGCHRNA7
SCHEMBL6297902 0.80 RARA (0.46) RARARARBRARGNOTUMNQO2
SCHEMBL7662818 0.71 CHRNA7 (0.37) RARARARBRARGNOTUMCHRNA7
SCHEMBL7662825 0.71 CHRNA7 (0.37) RARARARBRARGNOTUMCHRNA7
SCHEMBL14376017 0.68 PIK3CB (0.38) CYP11B1CYP11B2
SCHEMBL23903579 0.67 PIK3CA (0.40) IDO1KCNH2
SCHEMBL9427637 0.67 MAPT (0.41) NOTUMCYP11B1CYP11B2
SCHEMBL14349388 0.67 LMNA (0.42) NOTUMCYP11B1CYP11B2
SCHEMBL17169807 0.67 RIPK1 (0.40) CYP11B1CYP11B2CDK4CDK6
SCHEMBL14349188 0.67 TDP1 (0.41) NOTUMKDM5BCYP11B1CYP11B2CDK4

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-6884808-B2 Heterocycle-containing carboxylic acid derivative and drug containing the same EISAI CO. LTD. (JP) 2005-04-26 US disclosed
US-6630463-B2 Such as 4-(4-(2-(2-(5,6,7,8-tetrahydro-5,5,8,8 -tetramethylquinoxalyl))pyrrolyl))benzoic acid; for treatment of acute promyelocytic leukemia EISAI CO. LTD. (JP) 2003-10-07 US disclosed
US-20030144276-A1 Heterocycle-containing carboxylic acid derivative and drug containing the same EISAI CO. LTD. 2003-07-31 US disclosed
US-6541474-B2 Administering a pharmaceutically effective dose of the heterocycle-containing carboxylic acid derivative or salt to a patient suffering form acute promyelocytic leukemia EISAI CO. LTD. (JP) 2003-04-01 US disclosed
US-20020103234-A1 Heterocycl-containing carboxylic acid derivative and drug containing the same EISAI CO. LTD. 2002-08-01 US disclosed
US-20020032202-A1 Heterocycle-containing carboxylic acid derivative and drug containing the same EISAI CO. LTD. 2002-03-14 US disclosed
US-6329402-B1 FOR THERAPY OF ACUTE PROMYELOCYTIC LEUKEMIA EISAI CO., LTD. (JP) 2001-12-11 US disclosed
US-5977108-A LEUKEMIA EISAI CO., LTD (JP) 1999-11-02 US 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 (3 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-20020103234-A1 Heterocycl-containing carboxylic acid derivative and drug containing the same RARA, RARB, RARG RARA 1/4885RARB 2/4885RARG 3/4885
US-20030144276-A1 Heterocycle-containing carboxylic acid derivative and drug containing the same RARA, RARB, RARG RARA 1/4885RARB 2/4885RARG 3/4885
US-20020032202-A1 Heterocycle-containing carboxylic acid derivative and drug containing the same RARA, RARB, RARG RARA 1/4885RARB 2/4885RARG 3/4885

“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.