SCHEMBL25445553

SCHEMBL25445553

CC(C)Oc1ccc(-c2ccc3c(c2)C(C)(C)c2cc(-c4ccc(-c5ccc6c(c5)C(C)(C)c5cc(-c7ccc(N(c8ccccc8)c8ccccc8)cc7)ccc5-6)c5nsnc45)ccc2-3)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDK2 Q15119 2/20 0.35
▸ ESR1 P03372 1/20 0.34
▸ MCL1 Q07820 5/20 0.34
▸ GPR88 Q9GZN0 2/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ NPC1 O15118 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ GABRA1 P14867 1/20 0.31
▸ GABRG2 P18507 1/20 0.31
▸ GABRB3 P28472 1/20 0.31
▸ GABRA5 P31644 1/20 0.31
▸ GABRA3 P34903 1/20 0.31
▸ RXRA P19793 1/20 0.31
▸ RXRB P28702 1/20 0.31
▸ ACP1 P24666 1/20 0.31
▸ BCL2 P10415 1/20 0.31
▸ MDM2 Q00987 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
SCHEMBL25445532 0.89 MCL1 (0.38) PDK2MCL1MAPTRXRARXRB
SCHEMBL25444650 0.89 MCL1 (0.38) PDK2MCL1MAPTRXRARXRB
SCHEMBL25445468 0.89 ESR1 (0.37) PDK2ESR1
SCHEMBL25445453 0.88 MAP4K4 (0.38) PDK2MCL1MAPTRXRARXRB
SCHEMBL25445458 0.87 ESR1 (0.36) PDK2ESR1KDM4EALDH1A1MAPT
SCHEMBL25445903 0.86 PDK2 (0.38) PDK2MCL1MAPTMAP4K4ALOX5AP
SCHEMBL25444663 0.85 PDK2 (0.31) PDK2ESR1MCL1KDM4ENPC1
SCHEMBL25445892 0.85 PDK2 (0.44) PDK2MCL1ACP1MAP4K4ALOX5AP
SCHEMBL25445501 0.84 MCL1 (0.35) PDK2MCL1ALDH1A1MAPTHPGD
SCHEMBL25445471 0.84 PDK2 (0.38) PDK2ESR1NPC1ALDH1A1RAB9A

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-20230143779-A1 ORGANIC SOLID-STATE LASER, COMPOUND AND USE THEREOF KYUSHU UNIVERSITY, NATIONAL UNIVERSITY CORPORATION (JP) 2023-05-11 — — 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-20230143779-A1 ORGANIC SOLID-STATE LASER, COMPOUND AND USE THEREOF LEF1, CCNT1, CCNT2 PDK2 3407/4885ESR1 148/4885MCL1 1322/4885

“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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