SCHEMBL6297902

SCHEMBL6297902

CC(C)N1CCCc2cc(-c3ccc(-c4ccc(C(=O)O)cc4)[nH]3)ccc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARA P10276 5/20 0.46
RARB P10826 4/20 0.46
RARG P13631 4/20 0.46
NOTUM Q6P988 1/20 0.42
HDAC1 Q13547 3/20 0.42
HDAC6 Q9UBN7 3/20 0.42
MCL1 Q07820 2/20 0.40
HDAC8 Q9BY41 2/20 0.38
TP53 P04637 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
PDK1 Q15118 1/20 0.36
PDK2 Q15119 1/20 0.36
PDK3 Q15120 1/20 0.36
PDK4 Q16654 1/20 0.36
ALDH1A1 P00352 1/20 0.35
NQO2 P16083 1/20 0.34
MYC P01106 1/20 0.34
POLB P06746 1/20 0.34

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
SCHEMBL20173810 0.82 ALDH1A1 (0.51) RARARARBRARGHDAC1HDAC6
SCHEMBL6298518 0.80 RARA (0.45) RARARARBRARGNOTUMNQO2
SCHEMBL6176563 0.77 MCL1 (0.39) RARARARBRARGNOTUMHDAC1
SCHEMBL7670996 0.76 HDAC1 (0.49) RARARARBRARGHDAC1HDAC6
SCHEMBL20173808 0.76 RARA (0.47) RARARARBRARGNOTUMHDAC1
SCHEMBL20178668 0.74 ALDH1A1 (0.51) RARARARBRARGHDAC1HDAC6
SCHEMBL22816788 0.74 NOTUM (0.45) RARARARBRARGNOTUMHDAC1
SCHEMBL7675774 0.72 HDAC1 (0.44) RARARARBRARGNOTUMHDAC1
SCHEMBL7675768 0.72 HDAC1 (0.44) RARARARBRARGNOTUMHDAC1
SCHEMBL7675776 0.72 HDAC1 (0.44) RARARARBRARGNOTUMHDAC1

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.