SCHEMBL8713502

SCHEMBL8713502

Cc1cc(C)c(C2=C(O)C3CCCCC3C2=O)c(C)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 3/20 0.36
TAS1R1 Q7RTX1 3/20 0.36
TAS1R2 Q8TE23 3/20 0.36
HTR2A P28223 2/20 0.33
HTR2C P28335 2/20 0.33
HTR2B P41595 2/20 0.33
NR1I2 O75469 1/20 0.33
KDM4B O94953 1/20 0.33
CHRM1 P11229 1/20 0.33
TBXA2R P21731 1/20 0.33
ADRA1A P35348 1/20 0.33
DOHH Q9BU89 1/20 0.33
UGT2B17 O75795 2/20 0.33
NPSR1 Q6W5P4 2/20 0.32
BCL2L1 Q07817 1/20 0.32
GAA P10253 1/20 0.32
LMNA P02545 1/20 0.32
KMT2A Q03164 1/20 0.32
EBP Q15125 1/20 0.31
DHCR7 Q9UBM7 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
SCHEMBL8015573 0.97 TAS1R3 (0.33) TAS1R3TAS1R1TAS1R2HTR2AHTR2C
SCHEMBL10199715 0.89 TAS1R3 (0.32) TAS1R3TAS1R1TAS1R2NPSR1GAA
SCHEMBL13527178 0.86
SCHEMBL6929176 0.85 HPGD (0.35) GAAKMT2AKDM4EHPGD
SCHEMBL13002854 0.84 EZH2 (0.30)
SCHEMBL8015380 0.83 HTR2A (0.35) HTR2AHTR2CHTR2B
SCHEMBL10309266 0.83 HTR2A (0.39) HTR2AHTR2CHTR2B
SCHEMBL10199845 0.83 NR1I2 (0.31) NR1I2KDM4BCHRM1TBXA2RADRA1A
SCHEMBL8019247 0.82 HTR2A (0.31) HTR2AHTR2CHTR2BGAAKMT2A
SCHEMBL8704408 0.82 NR1I2 (0.32) HTR2AHTR2CHTR2BNR1I2KDM4E

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-20120238450-A1 C2-PHENYL-SUBSTITUTED CYCLIC KETONOLS BAYER AKTIENGESELLSCHAFT (DE) 2012-09-20 US disclosed
US-5808135-A HERBICIDE; PESTICIDE BAYER AKTIENGESELLSCHAFT (DE) 1998-09-15 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-20120238450-A1 C2-PHENYL-SUBSTITUTED CYCLIC KETONOLS AKR1C3, AKR1C4, AKR1C2 TAS1R3 4773/4885TAS1R1 4842/4885TAS1R2 4798/4885

“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.