SCHEMBL21363960

SCHEMBL21363960

CCc1cccc(CC)c1-c1cc(-c2c3ccccc3c(-c3ccnc(-c4c(CC)cccc4CC)c3)c3ccccc23)ccn1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4C Q9H3R0 3/20 0.38
CYP2C9 P11712 3/20 0.36
CYP3A4 P08684 3/20 0.36
PIK3CA P42336 1/20 0.36
PIK3CB P42338 1/20 0.36
NPEPPS P55786 1/20 0.35
GRM5 P41594 1/20 0.35
CCNB2 O95067 1/20 0.35
CDK1 P06493 1/20 0.35
RET P07949 1/20 0.35
CCNB1 P14635 1/20 0.35
CCNB3 Q8WWL7 1/20 0.35
PHF8 Q9UPP1 3/20 0.35
C5AR1 P21730 2/20 0.35
ACACA Q13085 1/20 0.34
CCNT1 O60563 1/20 0.34
CCNA2 P20248 1/20 0.34
CDK2 P24941 1/20 0.34
CDK9 P50750 1/20 0.34
CYP1A2 P05177 3/20 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
SCHEMBL21364024 0.89 GABRG2 (0.36) KDM4CCYP2C9CYP3A4PIK3CAPIK3CB
SCHEMBL21363956 0.79 GRM5 (0.40) GRM5CYP1A2KDM4EALDH1A1
SCHEMBL9613219 0.77 PRKDC (0.39) CYP2C9CYP3A4CDK1ACACACYP1A2
SCHEMBL21364027 0.76 GRM5 (0.43) GRM5CYP1A2KDM4EALDH1A1
SCHEMBL21363963 0.75 KDM4C (0.35) KDM4CCYP3A4PIK3CAPIK3CBPHF8
SCHEMBL12345156 0.74 ASIC3 (0.55) CDK1KDM4EALDH1A1MAPT
SCHEMBL18272725 0.71 ASIC3 (0.43) PIK3CA
SCHEMBL21364026 0.71 TGFBR1 (0.53) CYP3A4CYP1A2CYP2C19KDM4EALDH1A1
SCHEMBL9973738 0.71 CYP2A6 (0.58) CYP2C9CYP3A4CYP1A2CYP2C19ALDH1A1
SCHEMBL12345148 0.71 ASIC3 (0.46) CYP2C9CYP3A4PIK3CACYP1A2CYP2C19

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-11145821-B2 Organic electroluminescence device and polycyclic compound for organic electroluminescence device SAMSUNG DISPLAY CO., LTD. (KR) 2021-10-12 US disclosed
US-20190288216-A1 ORGANIC ELECTROLUMINESCENCE DEVICE AND POLYCYCLIC COMPOUND FOR ORGANIC ELECTROLUMINESCENCE DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2019-09-19 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-11145821-B2 Organic electroluminescence device and polycyclic compound for organic electroluminescence device LEF1, SLC25A21, EMC2 KDM4C 3093/4885CYP2C9 809/4885CYP3A4 1162/4885
US-20190288216-A1 ORGANIC ELECTROLUMINESCENCE DEVICE AND POLYCYCLIC COMPOUND FOR ORGANIC ELECTROLUMINESCENCE DEVICE LEF1, SLC25A21, EMC2 KDM4C 3093/4885CYP2C9 809/4885CYP3A4 1162/4885

“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.