SCHEMBL21726976

SCHEMBL21726976

CC1(C)c2ccccc2-c2ccc(-c3cc(Nc4cc(-c5ccc6c(c5)C(C)(C)c5ccccc5-6)c(-c5ccccc5)cc4-c4cccc5ccccc45)ccc3-c3ccccc3)cc21

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.35
▸ MAPT P10636 1/20 0.35
▸ CHRNB2 P17787 2/20 0.33
▸ CHRNB4 P30926 2/20 0.33
▸ CHRNA3 P32297 2/20 0.33
▸ CHRNA4 P43681 2/20 0.33
▸ CA12 O43570 3/20 0.32
▸ CA1 P00915 3/20 0.32
▸ CA2 P00918 3/20 0.32
▸ CA9 Q16790 3/20 0.32
▸ TP53 P04637 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ ALOX15 P16050 1/20 0.32
▸ TSHR P16473 1/20 0.32
▸ CDC25B P30305 1/20 0.32
▸ ATM Q13315 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.32
▸ CHRNA1 P02708 1/20 0.32
▸ CHRNG P07510 1/20 0.32

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
SCHEMBL25569223 0.89 ALDH1A1 (0.38) ALDH1A1MAPTCHRNB2CHRNB4CHRNA3
SCHEMBL31245664 0.87 ALDH1A1 (0.39) ALDH1A1MAPTCA12CA1CA2
SCHEMBL27012267 0.87 ALDH1A1 (0.36) ALDH1A1MAPTCHRNB2CHRNB4CHRNA3
SCHEMBL22517548 0.84 ALDH1A1 (0.37) ALDH1A1MAPTCHRNB2CHRNB4CHRNA3
SCHEMBL17733388 0.84 CA12 (0.39) ALDH1A1MAPTCHRNB2CHRNB4CHRNA3
SCHEMBL22517374 0.84 ALDH1A1 (0.37) ALDH1A1MAPTCHRNB2CHRNB4CHRNA3
SCHEMBL27012223 0.84 RAB9A (0.39) ALDH1A1MAPTCHRNB2CHRNB4CHRNA3
SCHEMBL25124813 0.84 CDC25B (0.39) ALDH1A1MAPTCHRNB2CHRNB4CHRNA3
SCHEMBL19797541 0.83 PDK2 (0.42) ABCG2ABCB1ABCC1PDK2
SCHEMBL17733224 0.83 CDC25B (0.39) ALDH1A1MAPTCHRNB2CHRNB4CHRNA3

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-10566540-B2 Organic electroluminescent device HODOGAYA CHEMICAL CO., LTD. (JP) 2020-02-18 — — 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 (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-10566540-B2 Organic electroluminescent device KCNN2, SLC7A5, KCNN1 ALDH1A1 459/4885MAPT 922/4885CHRNB2 493/4885

“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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