SCHEMBL21802168

SCHEMBL21802168

CCOC(=O)c1cc(C(C)C)n(CI)n1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.41
GAA P10253 1/20 0.41
NR1H2 P55055 2/20 0.41
CYP1A2 P05177 1/20 0.41
CNR1 P21554 1/20 0.40
CNR2 P34972 1/20 0.40
TP53 P04637 2/20 0.40
MAPT P10636 2/20 0.39
ADORA3 P0DMS8 1/20 0.38
POLB P06746 1/20 0.37
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37

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
SCHEMBL15898926 0.82 KMT2A (0.41) KMT2AGAANR1H2CYP1A2CNR1
SCHEMBL11283178 0.81 GAA (0.44) KMT2AGAANR1H2CYP1A2TP53
SCHEMBL3213738 0.76 PTGER1 (0.48) CYP1A2TP53ALDH1A1
SCHEMBL1234127 0.75 AURKA (0.52) KMT2AGAACYP1A2TP53MAPT
SCHEMBL31459254 0.73 GAA (0.48) KMT2AGAANR1H2CYP1A2TP53
SCHEMBL3344116 0.72 KMT2A (0.44) KMT2AGAACYP1A2TP53MAPT
SCHEMBL1197227 0.72 LMNA (0.58) KMT2AGAACYP1A2TP53MAPT
SCHEMBL21964570 0.71 NR1H2 (0.51) KMT2AGAANR1H2CYP1A2MAPT
SCHEMBL20723202 0.71 KDM4E (0.43) KMT2AGAACYP1A2MAPTPOLB
SCHEMBL20723221 0.71 KDM4E (0.43) KMT2AGAACYP1A2MAPTPOLB

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-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

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-10981932-B2 Macrocyclic indole derivatives CCND2, IDO1, CCNT2 KMT2A 772/4885GAA 4215/4885NR1H2 858/4885
US-20200087322-A1 MACROCYCLIC INDOLE DERIVATIVES CCND2, CCNA1, CCNT2 KMT2A 897/4885GAA 4042/4885NR1H2 857/4885

“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.