SCHEMBL23743271

SCHEMBL23743271

CC1(C)c2cccc(-c3nc(-c4ccccc4)cc(-c4ccc(-c5ccccc5)cc4)n3)c2-c2ccc3cc(-c4ccccc4)ccc3c21

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDK2 Q15119 4/20 0.35
▸ ESR1 P03372 1/20 0.35
▸ ESR2 Q92731 1/20 0.35
▸ CYP1A1 P04798 1/20 0.35
▸ CYP1B1 Q16678 1/20 0.35
▸ HSD17B1 P14061 2/20 0.34
▸ HSD17B2 P37059 2/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ CYP2D6 P10635 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ CYP2B6 P20813 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ MEN1 O00255 7/20 0.34
▸ KMT2A Q03164 7/20 0.34
▸ MAPT P10636 5/20 0.34
▸ ALDH1A1 P00352 4/20 0.34
▸ HPGD P15428 4/20 0.34
▸ NTSR1 P30989 1/20 0.34
▸ KDM4E B2RXH2 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
SCHEMBL23743373 0.92 ESR1 (0.36) PDK2ESR1ESR2HSD17B1HSD17B2
SCHEMBL23743422 0.88 — —
SCHEMBL25539102 0.88 CYP1A1 (0.39) PDK2CYP1A1CYP1B1HSD17B1HSD17B2
SCHEMBL25539194 0.88 CA12 (0.34) PDK2CYP1A1CYP1B1MEN1KMT2A
SCHEMBL25539095 0.87 CYP1A1 (0.34) PDK2CYP1A1CYP1B1MEN1KMT2A
SCHEMBL25540410 0.87 CYP1A1 (0.34) PDK2CYP1A1CYP1B1MEN1KMT2A
SCHEMBL25540238 0.87 CYP1A1 (0.34) PDK2CYP1A1CYP1B1MEN1KMT2A
SCHEMBL25539077 0.87 CYP1A1 (0.34) PDK2CYP1A1CYP1B1MEN1KMT2A
SCHEMBL25539097 0.87 CYP1A1 (0.34) PDK2CYP1A1CYP1B1MEN1KMT2A
SCHEMBL25540411 0.87 CYP1A1 (0.34) PDK2CYP1A1CYP1B1MEN1KMT2A

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-20210249607-A1 COMPOUND FOR ORGANIC OPTOELECTRONIC DEVICE, COMPOSITION FOR ORGANIC OPTOELECTRONIC DEVICE, ORGANIC OPTOELECTRONIC DEVICE AND DISPLAY DEVICE SAMSUNG SDI CO., LTD. (KR) 2021-08-12 — — 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-20210249607-A1 COMPOUND FOR ORGANIC OPTOELECTRONIC DEVICE, COMPOSITION FOR ORGANIC OPTOELECTRONIC DEVICE, ORGANIC OPTOELECTRONIC DEVICE AND DISPLAY DEVICE OCIAD2, OCIAD1, OXER1 PDK2 2295/4885ESR1 879/4885ESR2 2207/4885

“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.

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