SCHEMBL21169773

SCHEMBL21169773

c1ccc2cc(-c3c4ccccc4c(-c4ccc5c(c4)oc4cc(-c6ccc7cc(-c8ccc(-c9c%10ccccc%10c(-c%10ccc%11c(c%10)oc%10ccccc%10%11)c%10ccccc9%10)cc8)ccc7c6)ccc45)c4ccccc34)ccc2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 1/20 0.46
AHR P35869 2/20 0.44
MEN1 O00255 3/20 0.42
MAPT P10636 3/20 0.42
KMT2A Q03164 3/20 0.42
KDM4E B2RXH2 2/20 0.42
ALDH1A1 P00352 2/20 0.42
HPGD P15428 2/20 0.42
ESR1 P03372 2/20 0.42
ESR2 Q92731 2/20 0.42
MMP12 P39900 1/20 0.41
MMP13 P45452 1/20 0.41
CYP1A1 P04798 1/20 0.40
CYP1B1 Q16678 1/20 0.40
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39
ATM Q13315 1/20 0.39
ALOX5 P09917 1/20 0.38
CASP3 P42574 1/20 0.37
SENP7 Q9BQF6 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
SCHEMBL22062778 1.00 HCRTR1 (0.46) HCRTR1AHRMEN1MAPTKMT2A
SCHEMBL20363656 1.00 HCRTR1 (0.46) HCRTR1AHRMEN1MAPTKMT2A
SCHEMBL17932119 0.97 HCRTR1 (0.44) HCRTR1AHRMEN1MAPTKMT2A
SCHEMBL26973051 0.97 HCRTR1 (0.48) HCRTR1AHRMEN1MAPTKMT2A
SCHEMBL17944501 0.96 HCRTR1 (0.43) HCRTR1AHRMEN1MAPTKMT2A
SCHEMBL21579303 0.96 HCRTR1 (0.43) HCRTR1AHRMEN1MAPTKMT2A
SCHEMBL27370122 0.96 HCRTR1 (0.43) HCRTR1AHRMEN1MAPTKMT2A
SCHEMBL22903341 0.95 HCRTR1 (0.47) HCRTR1AHRMEN1MAPTKMT2A
SCHEMBL18907443 0.95 AHR (0.47) HCRTR1AHRMEN1MAPTKMT2A
SCHEMBL22854821 0.94 HCRTR1 (0.42) HCRTR1AHRMEN1MAPTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200303656-A1 ORGANIC ELECTROLUMINESCENT DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2020-09-24 US disclosed
US-10672989-B2 Organic electroluminescence device and novel compound IDEMITSU KOSAN CO., LTD. (JP) 2020-06-02 US disclosed
US-20190221747-A1 ORGANIC ELECTROLUMINESCENCE DEVICE AND NOVEL COMPOUND IDEMITSU KOSAN CO., LTD. (JP) 2019-07-18 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-10672989-B2 Organic electroluminescence device and novel compound LEF1, OR10J3, LUC7L2 HCRTR1 4071/4885AHR 2904/4885MEN1 1399/4885
US-20190221747-A1 ORGANIC ELECTROLUMINESCENCE DEVICE AND NOVEL COMPOUND KCNN4, OR10J3, KCNN2 HCRTR1 3075/4885AHR 23/4885MEN1 688/4885

“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.