SCHEMBL9305053

SCHEMBL9305053

CC(C)(C)Sc1c(CC(C)(C)C(=O)O)n(Cc2ccc(Cl)cc2)c2ccc(OCc3ccccn3)cc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 20/20 1.00
CYP2C9 P11712 5/20 1.00
ALOX5 P09917 5/20 1.00
CYP3A4 P08684 4/20 1.00
CYP2D6 P10635 3/20 0.80

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
SCHEMBL1193621 0.95 ALOX5AP (0.91) ALOX5APCYP2C9ALOX5CYP3A4CYP2D6
SCHEMBL9305628 0.93 ALOX5AP (0.87) ALOX5APCYP2C9ALOX5CYP3A4CYP2D6
SCHEMBL169407 0.92 ALOX5AP (1.00) ALOX5APCYP2C9ALOX5CYP3A4CYP2D6
SCHEMBL166648 0.92 ALOX5AP (0.88) ALOX5APCYP2C9ALOX5CYP3A4CYP2D6
SCHEMBL169077 0.90 ALOX5AP (0.82) ALOX5APCYP2C9ALOX5CYP3A4CYP2D6
SCHEMBL25967880 0.90 ALOX5AP (0.82) ALOX5APCYP2C9ALOX5CYP3A4CYP2D6
SCHEMBL9173601 0.90 ALOX5AP (1.00) ALOX5APCYP2C9ALOX5CYP3A4CYP2D6
SCHEMBL9305688 0.90 ALOX5AP (1.00) ALOX5APCYP2C9ALOX5CYP3A4CYP2D6
SCHEMBL169228 0.90 ALOX5AP (1.00) ALOX5APCYP2C9ALOX5CYP3A4CYP2D6
SCHEMBL1722957 0.90 ALOX5AP (0.89) ALOX5APCYP2C9ALOX5CYP3A4CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11718614-B2 Compounds and methods for treatment of hedgehog pathway associated conditions SUZHOU MEDNES PHARMA TECH CO., LTD. (CN) 2023-08-08 US disclosed
US-20210214353-A1 COMPOUNDS AND METHODS FOR TREATMENT OF HEDGEHOG PATHWAY ASSOCIATED CONDITIONS SUZHOU MEDNES PHARMA TECH CO., LTD. (CN) 2021-07-15 US disclosed
US-5288743-A Lipoxygenase inhibitors ABBOTT LABORATORIES (US) 1994-02-22 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-11718614-B2 Compounds and methods for treatment of hedgehog pathway associated conditions SHH, GLI1, SMO ALOX5AP 3783/4885CYP2C9 3780/4885ALOX5 1983/4885
US-20210214353-A1 COMPOUNDS AND METHODS FOR TREATMENT OF HEDGEHOG PATHWAY ASSOCIATED CONDITIONS SHH, GLI1, SMO ALOX5AP 3783/4885CYP2C9 3780/4885ALOX5 1983/4885

“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.