SCHEMBL9224964

SCHEMBL9224964

CC(C)Oc1ccc2ccccc2c1-c1c(P(c2ccccc2)c2ccccc2)ccc2ccccc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
ADRA1D P25100 1/20 0.35
ADRA1A P35348 1/20 0.35
ADRA1B P35368 1/20 0.35
IRAK4 Q9NWZ3 1/20 0.35
TLR8 Q9NR97 1/20 0.33
MCHR1 Q99705 1/20 0.33
NCEH1 Q6PIU2 2/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
NISCH Q9Y2I1 1/20 0.32
PPARG P37231 2/20 0.32
PPARA Q07869 2/20 0.32
POLB P06746 1/20 0.32
HTR1B P28222 1/20 0.31
KCNA3 P22001 1/20 0.31
WDR5 P61964 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
SCHEMBL29350914 1.00 MAPT (0.47) MAPTCYP1A2CYP2C9CYP2C19ADRA1D
SCHEMBL29834220 0.84 MAPT (0.67) MAPTCYP1A2CYP2C9CYP2C19MEN1
SCHEMBL29496547 0.84 MAPT (0.67) MAPTCYP1A2CYP2C9CYP2C19MEN1
SCHEMBL1606348 0.84 MAPT (0.67) MAPTCYP1A2CYP2C9CYP2C19MEN1
SCHEMBL3274613 0.83 MAPT (0.62) MAPTCYP1A2CYP2C9CYP2C19ADRA1D
SCHEMBL146878 0.82 ALDH1A1 (0.44) MAPTCYP1A2WDR5
SCHEMBL5107 0.82 ALDH1A1 (0.44) MAPTCYP1A2WDR5
SCHEMBL29350037 0.82 ALDH1A1 (0.44) MAPTCYP1A2WDR5
SCHEMBL29496111 0.82 ALDH1A1 (0.44) MAPTCYP1A2WDR5
SCHEMBL10323632 0.82 ALDH1A1 (0.44) MAPTCYP1A2WDR5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220081413-A1 SYNTHESIS OF QUINAZOLINE COMPOUNDS GENENTECH, INC. (US) 2022-03-17 US disclosed
EP-0503884-B1 Optically active diphenylphosphino-binaphtyl compounds and catalytic transition metal complexes thereof TAKASAGO PERFUMERY CO LTD (JP) 1995-07-26 EP disclosed
US-5231202-A OPTICALLY ACTIVE TERTIARY PHOSPHINE COMPOUND AND TRANSITION METAL COMPLEX USING THE SAME AS LIGAND TAKASAGO INTERNATIONAL CORPORATION (JP) 1993-07-27 US disclosed
EP-0503884-A1 Optically active diphenylphosphino-binaphtyl compounds and catalytic transition metal complexes thereof Takasago International Corporation (JP) 1992-09-16 EP 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-20220081413-A1 SYNTHESIS OF QUINAZOLINE COMPOUNDS COQ8A, SQSTM1, QARS1 MAPT 650/4885CYP1A2 89/4885CYP2C9 256/4885

“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.