SCHEMBL4530714

SCHEMBL4530714

Cc1c(CC(C)C)[nH]c2ccc(O)cc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.48
CYP2D6 P10635 2/20 0.48
CYP2C9 P11712 2/20 0.48
HTR1D P28221 2/20 0.48
CYP2C19 P33261 2/20 0.48
TDP1 Q9NUW8 2/20 0.48
CYP3A4 P08684 1/20 0.48
MAPK1 P28482 1/20 0.48
HTR7 P34969 1/20 0.48
HTR3A P46098 1/20 0.48
HTR6 P50406 1/20 0.48
HSD17B10 Q99714 1/20 0.48
NR1I2 O75469 1/20 0.47
HTR1A P08908 1/20 0.43
HTR1B P28222 1/20 0.43
HTR2A P28223 1/20 0.43
HTR2C P28335 1/20 0.43
HTR2B P41595 1/20 0.43
NFKB1 P19838 1/20 0.43
GAA P10253 3/20 0.41

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
SCHEMBL25904014 0.81 TDP1 (0.51) CYP1A2CYP2D6CYP2C9HTR1DCYP2C19
SCHEMBL3984862 0.77 HTR7 (0.36) CYP1A2CYP2D6CYP2C9HTR1DCYP2C19
SCHEMBL7816219 0.77 GAA (0.68) HSD17B10GAAALOX5MEN1KMT2A
SCHEMBL4377509 0.73 KDM4E (0.58) CYP1A2CYP2D6CYP2C9HTR1DCYP2C19
SCHEMBL26989629 0.73 CYP1A2 (0.54) CYP1A2CYP2D6CYP2C9CYP2C19TDP1
SCHEMBL22074044 0.71 MAPT (0.48) CYP1A2CYP2D6CYP2C9HTR1DCYP2C19
SCHEMBL25903509 0.70 ALOX5 (0.45) CYP1A2CYP2D6CYP2C9HTR1DCYP2C19
SCHEMBL25904050 0.70 GAA (0.53) CYP1A2CYP2D6CYP2C9HTR1DCYP2C19
SCHEMBL19193144 0.69 HTR7 (0.53) CYP1A2CYP2D6CYP2C9HTR1DCYP2C19
SCHEMBL6981457 0.69 HTR2C (0.77) CYP1A2CYP2D6CYP2C9HTR1DCYP2C19

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-20090233979-A1 Indole Derivatives and Their Use as Thyroid Receptor Ligands KARO BIO AB (SE) 2009-09-17 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-20090233979-A1 Indole Derivatives and Their Use as Thyroid Receptor Ligands TSHR, TRHR, THRA CYP1A2 534/4885CYP2D6 500/4885CYP2C9 873/4885

“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.