SCHEMBL4211050

SCHEMBL4211050

Cc1[nH]c2ccc(C(C)(C)C)cc2c1C(Cc1ccccc1)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KIF11 P52732 4/20 0.47
▸ PTGS1 P23219 1/20 0.40
▸ PTGS2 P35354 1/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ MAPT P10636 2/20 0.40
▸ EGFR P00533 2/20 0.40
▸ GABRA1 P14867 1/20 0.39
▸ GABRG2 P18507 1/20 0.39
▸ GABRB3 P28472 1/20 0.39
▸ GABRA5 P31644 1/20 0.39
▸ GABRA3 P34903 1/20 0.39
▸ GABRA2 P47869 1/20 0.39
▸ GABRA4 P48169 1/20 0.39
▸ GABRA6 Q16445 1/20 0.39
▸ MDH2 P40926 1/20 0.39
▸ DNMT1 P26358 3/20 0.38
▸ GHSR Q92847 1/20 0.37
▸ MEN1 O00255 3/20 0.36
▸ KMT2A Q03164 3/20 0.36
▸ KDM4E B2RXH2 1/20 0.36

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
SCHEMBL6102227 0.85 KDM4E (0.49) ALDH1A1MAPTEGFRMEN1KMT2A
SCHEMBL6102218 0.82 MAPT (0.49) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL8575856 0.81 AKR1C2 (0.53) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL11328482 0.75 KIF11 (0.49) KIF11ALDH1A1EGFRMEN1KMT2A
SCHEMBL6423153 0.74 CTSV (0.47) ALDH1A1MAPTHSD17B10LMNA
SCHEMBL6425667 0.74 MTNR1A (0.47) ALDH1A1MAPTMEN1KMT2ALMNA
SCHEMBL13802177 0.70 ALDH1A1 (0.46) KIF11PTGS1PTGS2ALDH1A1MAPT
SCHEMBL4204905 0.70 KDM4E (0.69) KIF11PTGS1PTGS2ALDH1A1MAPT
SCHEMBL6425282 0.69 MRGPRX4 (0.37) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL29152994 0.69 EPHX1 (0.52) PTGS1PTGS2ALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090155903-A1 PHARMACEUTICAL COMPOSITION AND METHOD MYRIAD GENETICS, INCORPORATED (US) 2009-06-18 — — US disclosed
WO-2005092062-A2 COMPOUNDS FOR NEURODEGENERATIVE DISORDERS MYRIAD GENETICS, INC. (US) 2005-10-06 — — WO 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-20090155903-A1 PHARMACEUTICAL COMPOSITION AND METHOD APP, PSEN2, PSEN1 KIF11 1937/4885PTGS1 2198/4885PTGS2 2066/4885

“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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