SCHEMBL19635324

SCHEMBL19635324

CC(C)(C)C(=O)OC1CCC(=O)c2ccc(C(F)(F)F)cc21

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 1/20 0.38
CYP11B1 P15538 13/20 0.36
CYP11B2 P19099 13/20 0.36
LMNA P02545 1/20 0.35
GAA P10253 1/20 0.35
FFAR1 O14842 1/20 0.34
HPD P32754 1/20 0.33
CYP26A1 O43174 1/20 0.33
SRD5A1 P18405 1/20 0.33
HTR2C P28335 1/20 0.33
SLC6A4 P31645 1/20 0.33
HTR2B P41595 1/20 0.33

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
SCHEMBL19635322 0.89 PTGDR2 (0.35) PTGDR2CYP11B1CYP11B2LMNAGAA
SCHEMBL19635319 0.89 PTGDR2 (0.38) PTGDR2CYP11B1CYP11B2FFAR1CYP26A1
SCHEMBL5482888 0.85 KMT2A (0.36) PTGDR2CYP11B1CYP11B2LMNAGAA
SCHEMBL19635311 0.84 PTGDR2 (0.34) PTGDR2LMNAGAA
SCHEMBL5485146 0.82 MEN1 (0.37) PTGDR2CYP11B1CYP11B2HTR2CSLC6A4
SCHEMBL5480832 0.81 LMNA (0.48) PTGDR2LMNAGAA
SCHEMBL29602500 0.79 ALDH1A1 (0.39) LMNAHTR2C
SCHEMBL19615288 0.77 CYP11B1 (0.31) CYP11B1CYP11B2
SCHEMBL5480911 0.70 MAP3K14 (0.33) PTGDR2CYP11B1CYP11B2
SCHEMBL5480913 0.70 MAP3K14 (0.33) PTGDR2CYP11B1CYP11B2

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-11492358-B1 Macrocyclic indole derivatives THE BROAD INSTITUTE, INC. (US) 2022-11-08 US disclosed
EP-3458459-B1 MACROCYCLIC INDOLE DERIVATIVES BAYER AG (DE) 2022-04-27 EP disclosed
EP-3458459-B1 MACROCYCLIC INDOLE DERIVATIVES BAYER AG (DE) 2022-04-27 EP disclosed
CN-109715632-B Macrocyclic indole derivatives 拜尔公开股份有限公司 2021-10-26 CN disclosed
US-10981932-B2 Macrocyclic indole derivatives BAYER AKTIENGESELLSCHAFT (DE) 2021-04-20 US disclosed
US-10981932-B2 Macrocyclic indole derivatives BAYER AKTIENGESELLSCHAFT (DE) 2021-04-20 US disclosed
US-20200087322-A1 MACROCYCLIC INDOLE DERIVATIVES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2020-03-19 US disclosed
WO-2017198341-A1 MACROCYCLIC INDOLE DERIVATIVES BAYER AKTIENGESELLSCHAFT (DE) 2017-11-23 WO 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-11492358-B1 Macrocyclic indole derivatives CCND2, CCNT2, IDO1 PTGDR2 401/4885CYP11B1 406/4885CYP11B2 368/4885
US-10981932-B2 Macrocyclic indole derivatives CCND2, IDO1, CCNT2 PTGDR2 499/4885CYP11B1 534/4885CYP11B2 483/4885
US-20200087322-A1 MACROCYCLIC INDOLE DERIVATIVES CCND2, CCNA1, CCNT2 PTGDR2 407/4885CYP11B1 395/4885CYP11B2 379/4885

“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.