SCHEMBL21396767

SCHEMBL21396767

CC1(C)c2ccccc2N(c2ccc(C#N)c(-c3ccc(N4c5ccccc5C(C)(C)c5ccccc54)nc3)c2)c2ccccc21

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
AR P10275 4/20 0.40
HDAC1 Q13547 3/20 0.35
PGR P06401 1/20 0.34
RET P07949 10/20 0.34
GABRA1 P14867 1/20 0.33
GABRG2 P18507 1/20 0.33
GABRB3 P28472 1/20 0.33
GABRA5 P31644 1/20 0.33
GABRA3 P34903 1/20 0.33
GABRA2 P47869 1/20 0.33
GPR119 Q8TDV5 1/20 0.32

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
SCHEMBL21396728 0.85 AR (0.32) ARHDAC1RETGPR119
SCHEMBL21397151 0.84 GPR119 (0.33) ARHDAC1RETGPR119
SCHEMBL19344994 0.83 PGR (0.43) ARPGR
SCHEMBL21396938 0.83 RET (0.35) HDAC1RET
SCHEMBL21397036 0.82 FNTA (0.36) HDAC1RETGPR119
SCHEMBL21396740 0.81 ALDH1A1 (0.34) ARRET
SCHEMBL21397200 0.81 AR (0.41) ARPGRGABRA1GABRG2GABRB3
SCHEMBL21397025 0.79 PGR (0.35) ARPGRRETGABRA1GABRG2
SCHEMBL17883156 0.79 PGR (0.44) ARPGR
SCHEMBL19345076 0.78 PGR (0.48) ARPGRGABRA1GABRG2GABRB3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190296247-A1 ORGANIC ELECTROLUMINESCENCE DEVICE AND POLYCYCLIC COMPOUND FOR ORGANIC ELECTROLUMINESCENCE DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2019-09-26 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 (1 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-20190296247-A1 ORGANIC ELECTROLUMINESCENCE DEVICE AND POLYCYCLIC COMPOUND FOR ORGANIC ELECTROLUMINESCENCE DEVICE SLC25A21, SLCO4C1, SLC18A1 AR 3741/4885HDAC1 2295/4885PGR 406/4885

“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.