SCHEMBL20127581

SCHEMBL20127581

CC1(C)c2cc(-c3c4ccccc4c(-c4ccc5c(c4)oc4ccc6ccccc6c45)c4ccccc34)ccc2-c2c1ccc1ccccc21

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 6/20 0.35
AHR P35869 4/20 0.33
TDP1 Q9NUW8 3/20 0.33
PAX8 Q06710 2/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
CYP1A1 P04798 1/20 0.33
CYP1A2 P05177 1/20 0.33
FYN P06241 1/20 0.33
MAPK3 P27361 1/20 0.33
MEN1 O00255 1/20 0.31
TP53 P04637 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
MAPT P10636 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL10122703 0.97 ABCG2 (0.33) ABCG2AHRTDP1PAX8NPC1
SCHEMBL20127483 0.94 TDP1 (0.37) ABCG2AHRTDP1PAX8NPC1
SCHEMBL20127299 0.92 ABCG2 (0.35) ABCG2AHRTDP1PAX8NPC1
SCHEMBL24285507 0.91 AHR (0.35) ABCG2AHRTDP1L3MBTL1MEN1
SCHEMBL20127575 0.90 ABCG2 (0.35) ABCG2AHRTDP1PAX8NPC1
SCHEMBL20127715 0.89 ABCG2 (0.35) ABCG2AHRTDP1PAX8NPC1
SCHEMBL17943917 0.89 ABCG2 (0.38) ABCG2AHRTDP1PAX8NPC1
SCHEMBL20412632 0.89 PGR (0.31) CYP1A1MEN1MAPTKMT2A
SCHEMBL17932006 0.89 ABCG2 (0.36) ABCG2AHRTDP1PAX8NPC1
SCHEMBL17944296 0.87 ABCG2 (0.34) ABCG2AHRTDP1PAX8NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180208836-A1 ORGANIC ELECTROLUMINESCENCE ELEMENT AND ELECTRONIC DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2018-07-26 US disclosed
US-20180208836-A1 ORGANIC ELECTROLUMINESCENCE ELEMENT AND ELECTRONIC DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2018-07-26 US disclosed
US-20180130968-A1 ORGANIC ELECTROLUMINESCENCE ELEMENT AND ELECTRONIC DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2018-05-10 US disclosed
US-20180130968-A1 ORGANIC ELECTROLUMINESCENCE ELEMENT AND ELECTRONIC DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2018-05-10 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-20180130968-A1 ORGANIC ELECTROLUMINESCENCE ELEMENT AND ELECTRONIC DEVICE RER1, NR0B1, NR2E1 ABCG2 3284/4885AHR 2558/4885TDP1 3427/4885

“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.