SCHEMBL19635266

SCHEMBL19635266

CCOC(=O)c1[nH]c2c(Br)c(C)ccc2c1C(C)CCO

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.38
MAPT P10636 4/20 0.37
ALDH1A1 P00352 3/20 0.37
GAA P10253 2/20 0.37
NPC1 O15118 1/20 0.37
TP53 P04637 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
TUBB4A P04350 1/20 0.36
TUBB P07437 1/20 0.36
TUBA3C P0DPH7 1/20 0.36
TUBA1B P68363 1/20 0.36
TUBA4A P68366 1/20 0.36
TUBB4B P68371 1/20 0.36
TUBB3 Q13509 1/20 0.36
TUBB2A Q13885 1/20 0.36
TUBB8 Q3ZCM7 1/20 0.36
TUBA3E Q6PEY2 1/20 0.36
TUBA1A Q71U36 1/20 0.36
TUBA1C Q9BQE3 1/20 0.36

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
SCHEMBL29602372 1.00 KDM4E (0.38) KDM4EMAPTALDH1A1GAANPC1
SCHEMBL29601847 0.87 KDM4E (0.36) KDM4EMAPTALDH1A1GAANPC1
SCHEMBL19635572 0.87 KDM4E (0.36) KDM4EMAPTALDH1A1GAANPC1
SCHEMBL19618974 0.87 MCL1 (0.35) KDM4EMAPTALDH1A1GAASMN1; SMN2
SCHEMBL21802179 0.81 KDM4E (0.34) KDM4EMAPTALDH1A1GAANPC1
SCHEMBL19635710 0.80 MCL1 (0.44) KDM4EMAPTALDH1A1NPC1TP53
SCHEMBL29602509 0.80 MCL1 (0.44) KDM4EMAPTALDH1A1NPC1TP53
SCHEMBL19635012 0.79 KDM4E (0.33) KDM4EMAPTALDH1A1GAANPC1
SCHEMBL29601766 0.79 KDM4E (0.33) KDM4EMAPTALDH1A1GAANPC1
SCHEMBL19635845 0.79 HTR6 (0.46) KDM4EMAPTALDH1A1GAANPC1

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 KDM4E 2131/4885MAPT 2810/4885ALDH1A1 1451/4885
US-10981932-B2 Macrocyclic indole derivatives CCND2, IDO1, CCNT2 KDM4E 1858/4885MAPT 2202/4885ALDH1A1 1443/4885
US-20200087322-A1 MACROCYCLIC INDOLE DERIVATIVES CCND2, CCNA1, CCNT2 KDM4E 2044/4885MAPT 3026/4885ALDH1A1 1379/4885

“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.