SCHEMBL9986271

SCHEMBL9986271

CCOC(=O)c1[nH]c2cc(Cl)ccc2c1C(=O)Cc1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 16/20 1.00
ALDH1A1 P00352 1/20 0.56
CYP1A2 P05177 1/20 0.56
HPGD P15428 1/20 0.56
XBP1 P17861 1/20 0.56
CYP2C19 P33261 1/20 0.56

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
SCHEMBL19831036 0.85 ALOX15 (0.74) ALOX15ALDH1A1CYP1A2HPGDXBP1
SCHEMBL4358217 0.85 ALOX15 (0.81) ALOX15ALDH1A1CYP1A2HPGDXBP1
SCHEMBL8793660 0.84 ALOX15 (0.85) ALOX15ALDH1A1CYP1A2HPGDXBP1
SCHEMBL16235594 0.81 ALOX15 (0.83) ALOX15ALDH1A1CYP1A2HPGDXBP1
SCHEMBL19831031 0.80 ALOX15 (0.77) ALOX15ALDH1A1CYP1A2HPGDXBP1
SCHEMBL19831042 0.80 ALOX15 (0.72) ALOX15ALDH1A1CYP1A2HPGDXBP1
SCHEMBL11297387 0.79 ALDH1A1 (0.82) ALOX15ALDH1A1CYP1A2HPGDXBP1
SCHEMBL21465547 0.79 TUBB4A (0.74) ALOX15ALDH1A1CYP1A2HPGDXBP1
SCHEMBL3029308 0.78 ALOX15 (0.74) ALOX15ALDH1A1CYP1A2HPGDXBP1
SCHEMBL4042096 0.78 ALOX15 (0.74) ALOX15ALDH1A1CYP1A2HPGDXBP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130211079-A1 SUBSTITUTED HETEROCYCLES AS THERAPEUTIC AGENTS FOR TREATING CANCER DOEMLING ALEXANDER (US) 2013-08-15 US disclosed
US-20130211079-A1 SUBSTITUTED HETEROCYCLES AS THERAPEUTIC AGENTS FOR TREATING CANCER DOEMLING ALEXANDER (US) 2013-08-15 US disclosed
US-20130211079-A1 SUBSTITUTED HETEROCYCLES AS THERAPEUTIC AGENTS FOR TREATING CANCER DOEMLING ALEXANDER (US) 2013-08-15 US disclosed
US-20110313167-A1 Substituted Heterocycles as Therapeutic agents for treating cancer UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION 2011-12-22 US disclosed
US-20110313167-A1 Substituted Heterocycles as Therapeutic agents for treating cancer UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION 2011-12-22 US disclosed
US-20110313167-A1 Substituted Heterocycles as Therapeutic agents for treating cancer UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION 2011-12-22 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 (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-20110313167-A1 Substituted Heterocycles as Therapeutic agents for treating cancer TP53, MDM4, MDM2 ALOX15 3298/4885ALDH1A1 2723/4885CYP1A2 3242/4885
US-20130211079-A1 SUBSTITUTED HETEROCYCLES AS THERAPEUTIC AGENTS FOR TREATING CANCER TP53, MDM4, MDM2 ALOX15 3298/4885ALDH1A1 2723/4885CYP1A2 3242/4885

“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.