SCHEMBL21701191

SCHEMBL21701191

C/C(N)=C/c1c[nH]c2ccc(OCc3ccccc3)cc12

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.64
KMT2A Q03164 2/20 0.64
GAA P10253 1/20 0.64
GPR55 Q9Y2T6 1/20 0.64
TRPM8 Q7Z2W7 3/20 0.57
KDM4E B2RXH2 1/20 0.57
MAPT P10636 1/20 0.57
LTA4H P09960 3/20 0.56
PLA2G2A P14555 3/20 0.56
HTR1D P28221 5/20 0.54
HSP90AA1 P07900 1/20 0.54
HSP90AB1 P08238 1/20 0.54
SLC6A4 P31645 1/20 0.52
ACHE P22303 1/20 0.52
POLB P06746 1/20 0.51
ATP4A P20648 2/20 0.49
ATP4B P51164 2/20 0.49
KIF20A O95235 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48

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
SCHEMBL19242898 0.83 MEN1 (0.53) MEN1KMT2AGAAGPR55TRPM8
SCHEMBL19412188 0.83 MEN1 (0.53) MEN1KMT2AGAAGPR55TRPM8
SCHEMBL12909375 0.81 MEN1 (0.58) MEN1KMT2AGAAGPR55TRPM8
SCHEMBL1791105 0.81 MEN1 (0.60) MEN1KMT2AGAAGPR55TRPM8
SCHEMBL10501049 0.80 MEN1 (0.59) MEN1KMT2AGAAGPR55TRPM8
SCHEMBL10501064 0.80 MEN1 (0.59) MEN1KMT2AGAAGPR55TRPM8
SCHEMBL9022913 0.78 ALDH1A1 (0.55) MEN1KMT2AGAAGPR55TRPM8
SCHEMBL15323122 0.77 MEN1 (0.58) MEN1KMT2AGAAGPR55TRPM8
SCHEMBL15325653 0.77 MEN1 (0.58) MEN1KMT2AGAAGPR55TRPM8
SCHEMBL28506218 0.77 TRPM8 (0.64) MEN1KMT2AGAAGPR55TRPM8

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-11014936-B2 Selective estrogen receptor degraders and uses thereof INVENTISBIO LLC (US) 2021-05-25 US disclosed
US-20200048250-A1 SELECTIVE ESTROGEN RECEPTOR DEGRADERS AND USES THEREOF INVENTISBIO LLC 2020-02-13 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-20200048250-A1 SELECTIVE ESTROGEN RECEPTOR DEGRADERS AND USES THEREOF ESR1, ESRRA, ESR2 MEN1 3338/4885KMT2A 1662/4885GAA 305/4885
US-11014936-B2 Selective estrogen receptor degraders and uses thereof ESR1, ESRRA, ESR2 MEN1 3338/4885KMT2A 1662/4885GAA 305/4885

“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.