SCHEMBL25445458

SCHEMBL25445458

CC1(C)c2cc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)ccc2-c2cc3c(cc21)-c1ccc(-c2ccc(-c4ccc5c(c4)C(C)(C)c4cc6c(cc4-5)C(C)(C)c4cc(-c5ccc(N(c7ccccc7)c7ccccc7)cc5)ccc4-6)c4nsnc24)cc1C3(C)C

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ESR1 P03372 1/20 0.36
▸ PDK2 Q15119 10/20 0.34
▸ KDM4E B2RXH2 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ CYP1A2 P05177 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
▸ TDP1 Q9NUW8 1/20 0.31
▸ L3MBTL1 Q9Y468 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
SCHEMBL25445468 0.97 ESR1 (0.37) ESR1PDK2
SCHEMBL25445471 0.92 PDK2 (0.38) ESR1PDK2ALDH1A1
SCHEMBL25445861 0.90 ESR1 (0.40) ESR1PDK2
SCHEMBL25445440 0.89 ESR1 (0.35) ESR1PDK2
SCHEMBL25445553 0.87 PDK2 (0.35) ESR1PDK2KDM4EALDH1A1MAPT
SCHEMBL12954606 0.87 ALDH1A1 (0.40) PDK2KDM4EALDH1A1CYP1A2CYP3A4
SCHEMBL13779986 0.87 ALDH1A1 (0.40) PDK2KDM4EALDH1A1CYP1A2CYP3A4
SCHEMBL20345612 0.86 PDK2 (0.42) PDK2
SCHEMBL25445460 0.86 ESR1 (0.35) ESR1
SCHEMBL16169852 0.84 ALDH1A1 (0.38) PDK2KDM4EALDH1A1CYP1A2CYP3A4

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 ESR1 148/4885PDK2 3407/4885KDM4E 2150/4885

“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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