SCHEMBL6545157

SCHEMBL6545157

COc1cc(OC)c(-c2ccccc2C=O)cc1OC

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.55
TSHR P16473 2/20 0.55
TDP1 Q9NUW8 2/20 0.55
KDM4E B2RXH2 2/20 0.55
ERN1 O75460 6/20 0.49
TLR2 O60603 1/20 0.47
TLR1 Q15399 1/20 0.47
TLR6 Q9Y2C9 1/20 0.47
PRKDC P78527 2/20 0.46
LMNA P02545 3/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
CRHBP P24387 1/20 0.42
CRHR2 Q13324 1/20 0.42
TTR P02766 1/20 0.41
THRB P10828 1/20 0.41
BLM P54132 1/20 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
SCHEMBL25622473 0.86 ERN1 (0.47) ALDH1A1TSHRTDP1KDM4EERN1
SCHEMBL5492569 0.85 ALDH1A1 (0.46) ALDH1A1TSHRTDP1KDM4EERN1
SCHEMBL2474418 0.83 ERN1 (0.57) ALDH1A1TSHRTDP1KDM4EERN1
SCHEMBL17229426 0.81 ALDH1A1 (0.53) ALDH1A1TSHRTDP1KDM4EERN1
SCHEMBL7582880 0.81 ALDH1A1 (0.62) ALDH1A1TDP1ERN1LMNACYP1A2
SCHEMBL28339602 0.81 ERN1 (0.47) ALDH1A1TSHRTDP1KDM4EERN1
SCHEMBL19127752 0.79 ERN1 (0.56) ALDH1A1TSHRTDP1KDM4EERN1
SCHEMBL6742557 0.79 ERN1 (0.56) ALDH1A1TSHRTDP1KDM4EERN1
SCHEMBL6040828 0.78 ERN1 (0.57) ERN1
SCHEMBL28579916 0.77 ERN1 (0.46) ALDH1A1TDP1KDM4EERN1TLR2

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
EP-1373178-A1 MICROWAVE ASSISTED PROCESS FOR THE PREPARATION OF SUBSTITUTED PHENYLALDEHYDES FROM TRANS AND CIS-PHENYLPROPENES COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2004-01-02 EP disclosed
US-6544390-B2 Oxidizing phenylpropene derivatives in presence of an oxidizing agent and cocatalyst in a solvent; under microwave radiation, removing the solvent under reduced pressure and isolating the product COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2003-04-08 US disclosed
US-20020153240-A1 Microwave assisted rapid and economical process for the preparation of substituted phenylaldehydes from trans and cis-phenylpropenes: a commercial utilisation of toxic cis-isomer COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2002-10-24 US disclosed
WO-2002079132-A1 MICROWAVE ASSISTED PROCESS FOR THE PREPARATION OF SUBSTITUTED PHENYLALDEHYDES FROM TRANS AND CIS-PHENYLPROPENES COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2002-10-10 WO 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-20020153240-A1 Microwave assisted rapid and economical process for the preparation of substituted phenylaldehydes from trans and cis-phenylpropenes: a commercial utilisation of toxic cis-isomer PTMA, HDAC10, PSMB10 ALDH1A1 216/4885TSHR 1930/4885TDP1 2924/4885

“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.