SCHEMBL4248685

SCHEMBL4248685

Cc1ccccc1OC(O)C(C)O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 4/20 0.46
KDM4E B2RXH2 2/20 0.46
ADRB2 P07550 1/20 0.44
ADRB1 P08588 1/20 0.44
ADRB3 P13945 1/20 0.44
HPGD P15428 1/20 0.43
NISCH Q9Y2I1 1/20 0.42
ALOX15 P16050 2/20 0.42
TSHR P16473 5/20 0.41
CYP3A4 P08684 3/20 0.40
CYP2D6 P10635 3/20 0.40
KMT2A Q03164 3/20 0.40
SLC6A2 P23975 3/20 0.40
LMNA P02545 2/20 0.40
CHRM1 P11229 2/20 0.40
ADRA2B P18089 2/20 0.40
HTR2A P28223 2/20 0.40
HTR2C P28335 2/20 0.40
SLC6A4 P31645 2/20 0.40
HRH1 P35367 2/20 0.40

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
SCHEMBL31390272 1.00 CYP1A2 (0.46) CYP1A2KDM4EADRB2ADRB1ADRB3
SCHEMBL16991809 0.83 CYP1A2 (0.46) CYP1A2KDM4EADRB2ADRB1ADRB3
SCHEMBL515976 0.83 CYP1A2 (0.48) CYP1A2KDM4EADRB2ADRB1ADRB3
SCHEMBL4071169 0.80 ALOX15 (0.44) CYP1A2KDM4EADRB2ADRB1ADRB3
SCHEMBL28126486 0.79 KMT2A (0.56) CYP1A2KDM4ETSHRCYP3A4CYP2D6
SCHEMBL31490450 0.78 IRAK4 (0.48) CYP1A2KDM4EHPGDNISCHALOX15
SCHEMBL1592873 0.78 NISCH (0.47) CYP1A2KDM4EADRB2ADRB1ADRB3
SCHEMBL104727 0.78 IRAK4 (0.48) CYP1A2KDM4EHPGDNISCHALOX15
SCHEMBL2856043 0.78 ALDH1A1 (0.46) CYP1A2ADRB2ADRB1HPGDKMT2A
SCHEMBL20552998 0.76 ADRB2 (0.45) CYP1A2KDM4EADRB2ADRB1ADRB3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090130029-A1 GLYCEROL ETHERS VEHICLE AND PHARMACEUTICAL COMPOSITIONS THEREOF FOAMIX LTD. (IL) 2009-05-21 US disclosed
US-7196052-B2 Fragrance composition TAKASAGO INTERNATIONAL CORPORATION (JP) 2007-03-27 US disclosed
US-20030216283-A1 Fragrance composition TAKASAGO INTERNATIONAL CORPORATION 2003-11-20 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-20030216283-A1 Fragrance composition FAAH2, FAAH, DGAT1 CYP1A2 134/4885KDM4E 831/4885ADRB2 533/4885

“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.