SCHEMBL24067353

SCHEMBL24067353

CC(C)(CC1CCC(C(C)(C)C)CC1)c1cccnc1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 2/20 0.40
PTGER2 P43116 1/20 0.39
ALDH1A1 P00352 2/20 0.38
LMNA P02545 2/20 0.38
KDM4E B2RXH2 1/20 0.38
KCNA5 P22460 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP11B1 P15538 1/20 0.37
CYP11B2 P19099 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
CYP17A1 P05093 1/20 0.35

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
SCHEMBL24067502 0.83 CYP19A1 (0.38) CYP19A1LMNAKCNA5CYP1A2CYP3A4
SCHEMBL11700013 0.73 KCNA5 (0.50) CYP19A1LMNAKDM4EKCNA5CYP1A2
SCHEMBL25490043 0.71 ALDH1A1 (0.42) PTGER2ALDH1A1LMNAKDM4ENPSR1
SCHEMBL882396 0.71 CYP19A1 (0.46) CYP19A1LMNAKCNA5CYP1A2CYP3A4
SCHEMBL10191716 0.70 CYP19A1 (0.52) CYP19A1LMNAKCNA5CYP1A2CYP3A4
SCHEMBL26159537 0.70 CYP11B2 (0.41) CYP19A1ALDH1A1LMNAKDM4ECYP1A2
SCHEMBL22766246 0.69 CYP19A1 (0.50) CYP19A1LMNAKCNA5CYP1A2CYP3A4
SCHEMBL20781386 0.69 CYP19A1 (0.50) CYP19A1LMNAKCNA5CYP1A2CYP3A4
SCHEMBL2421346 0.69 CYP19A1 (0.50) CYP19A1LMNAKCNA5CYP1A2CYP3A4
SCHEMBL30634152 0.69 TAAR1 (0.57) CYP19A1LMNAKCNA5CYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230159521-A1 1H-PYRAZOLO[4,3-G]ISOQUINOLINE AND 1H-PYRAZOLO[4,3-G]QUINOLINE DERIVATIVES AS ALPHA-1-ANTITRYPSIN MODULATORS FOR TREATING ALPHA-1-ANTITRYPSIN DEFICIENCY (AATD) VERTEX PHARMACEUTICALS INCORPORATED 2023-05-25 US disclosed
US-20210371441-A1 PLATINUM COMPLEX, ITS PREPARATION AND THERAPEUTIC USE CITY UNIVERSITY OF HONG KONG (HK) 2021-12-02 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 (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-20210371441-A1 PLATINUM COMPLEX, ITS PREPARATION AND THERAPEUTIC USE IDH1, IDH2, IDH3A CYP19A1 3877/4885PTGER2 1914/4885ALDH1A1 1791/4885
US-20230159521-A1 1H-PYRAZOLO[4,3-G]ISOQUINOLINE AND 1H-PYRAZOLO[4,3-G]QUINOLINE DERIVATIVES AS ALPHA-1-ANTITRYPSIN MODULATORS FOR TREATING ALPHA-1-ANTITRYPSIN DEFICIENCY (AATD) SERPINA2, SERPINE1, SERPINA3 CYP19A1 2792/4885PTGER2 2254/4885ALDH1A1 638/4885

“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.