SCHEMBL26802829

SCHEMBL26802829

CCCc1ccc(C(C)(C)C)cc1C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 6/20 0.45
ADRA2A P08913 1/20 0.45
ADRA2B P18089 1/20 0.45
ADRA2C P18825 1/20 0.45
ADRA1D P25100 1/20 0.45
HTR1B P28222 1/20 0.45
ADRA1A P35348 1/20 0.45
ADRA1B P35368 1/20 0.45
CYP1A2 P05177 1/20 0.44
CYP2C19 P33261 1/20 0.44
EPHX2 P34913 1/20 0.40
TSHR P16473 1/20 0.39
RXRA P19793 1/20 0.39
RXRB P28702 1/20 0.39
ALDH1A1 P00352 2/20 0.39
HPGD P15428 1/20 0.39
ALOX15 P16050 1/20 0.39
HSD17B10 Q99714 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
KDM4E B2RXH2 1/20 0.39

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
SCHEMBL21449928 0.86 CYP2D6 (0.41) HTR1DADRA2AADRA2BADRA2CADRA1D
SCHEMBL15800261 0.82 HTR1D (0.44) HTR1DADRA2AADRA2BADRA2CADRA1D
SCHEMBL16950937 0.82 DAO (0.53) RXRARXRBALDH1A1KDM4EESR1
SCHEMBL23402375 0.82 HTR1D (0.44) HTR1DADRA2AADRA2BADRA2CADRA1D
SCHEMBL5166273 0.80 ALDH1A1 (0.55) CYP1A2CYP2C19TSHRALDH1A1HPGD
SCHEMBL25587218 0.80 CYP1A2 (0.42) HTR1DADRA2AADRA2BADRA2CADRA1D
SCHEMBL23400064 0.79 HTR1D (0.42) HTR1DADRA2AADRA2BADRA2CADRA1D
SCHEMBL8849687 0.79 HTR1D (0.42) HTR1DADRA2AADRA2BADRA2CADRA1D
SCHEMBL23419173 0.79 CYP1A2 (0.41) HTR1DADRA2AADRA2BADRA2CADRA1D
SCHEMBL24123873 0.79 HTR1D (0.56) HTR1DADRA2AADRA2BADRA2CADRA1D

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-20240018130-A1 Pyrimidine Derivative, Method For Preparing Same And Use Thereof In Medicine ZHEJIANG HISUN PHARMACEUTICAL CO., LTD. (CN) 2024-01-18 US disclosed
US-11827625-B2 Pyrimidine derivative, method for preparing same and use thereof in medicine ZHEJIANG HISUN PHARMACEUTICAL CO., LTD. 2023-11-28 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 (2 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-11827625-B2 Pyrimidine derivative, method for preparing same and use thereof in medicine FGFR4, FGFR1, FGFR2 HTR1D 2725/4885ADRA2A 4382/4885ADRA2B 3910/4885
US-20240018130-A1 Pyrimidine Derivative, Method For Preparing Same And Use Thereof In Medicine FGFR4, FGFR1, FGFR2 HTR1D 2725/4885ADRA2A 4382/4885ADRA2B 3910/4885

“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.