SCHEMBL7045244

SCHEMBL7045244

COc1cc(CN)cc(O)c1O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.56
TAAR1 Q96RJ0 2/20 0.56
MAPK1 P28482 1/20 0.56
LMNA P02545 2/20 0.55
CYP1A2 P05177 1/20 0.55
CYP3A4 P08684 1/20 0.55
NFKB1 P19838 1/20 0.55
GLA P06280 1/20 0.55
AKR1B1 P15121 1/20 0.53
MEN1 O00255 1/20 0.53
APEX1 P27695 1/20 0.53
KMT2A Q03164 1/20 0.53
TNKS2 Q9H2K2 2/20 0.51
TNKS O95271 1/20 0.51
HTR2A P28223 1/20 0.47
HTR2C P28335 1/20 0.47
HTR2B P41595 1/20 0.47
ADRB2 P07550 1/20 0.46
PTGS2 P35354 1/20 0.46
KDM4E B2RXH2 1/20 0.46

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
Hydrochloric Acid SCHEMBL30771790 0.98 LMNA (0.58) TSHRTAAR1MAPK1LMNACYP1A2
SCHEMBL1999631 0.91 AKR1B1 (0.52) TSHRTAAR1MAPK1LMNACYP1A2
Hydrochloric Acid SCHEMBL28020800 0.89 LMNA (0.52) TSHRTAAR1MAPK1LMNACYP1A2
Iodide SCHEMBL27584793 0.89 AKR1B1 (0.50) TSHRTAAR1MAPK1LMNACYP1A2
SCHEMBL10041296 0.86 TSHR (0.70) TSHRTAAR1MAPK1LMNACYP1A2
Hydrochloric Acid SCHEMBL30771793 0.85 TAAR1 (0.49) TSHRTAAR1MAPK1LMNACYP1A2
SCHEMBL3566176 0.84 HTR2A (0.53) TSHRTAAR1MAPK1LMNACYP1A2
SCHEMBL27873502 0.84 TAAR1 (0.44) TSHRTAAR1MAPK1LMNACYP1A2
SCHEMBL27873506 0.81 TRPV1 (0.51) TSHRTAAR1MAPK1LMNANFKB1
SCHEMBL17263518 0.81 AKR1B1 (0.76) TSHRTAAR1MAPK1LMNACYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1437580-A 3,4-dihydroxybenzyl-substituted carbonic acid derivatives and the use thereof as antioxidants HAARMANN & REIMER GMBH (DE) 2003-08-20 CN claimed
US-20030139470-A1 3,4-dihydroxybenzyl-substituted carbonic acid derivatives and the use thereof as antioxidants HAARMANN & REIMER GMBH (DE) 2003-07-24 US claimed
EP-1296941-A2 3,4-DIHYDROXYBENZYL-SUBSTITUTED CARBONIC ACID DERIVATIVES AND THE USE THEREOF AS ANTIOXIDANTS HAARMANN & REIMER GMBH (DE) 2003-04-02 EP claimed
WO-2001098235-A2 3,4-DIHYDROXYBENZYL-SUBSTITUTED CARBONIC ACID DERIVATIVES AND THE USE THEREOF AS ANTIOXIDANTS HAARMANN & REIMER GMBH (DE) 2001-12-27 WO claimed
CN-1437580-A 3,4-dihydroxybenzyl-substituted carbonic acid derivatives and the use thereof as antioxidants HAARMANN & REIMER GMBH (DE) 2003-08-20 CN disclosed
US-20030139470-A1 3,4-dihydroxybenzyl-substituted carbonic acid derivatives and the use thereof as antioxidants HAARMANN & REIMER GMBH (DE) 2003-07-24 US disclosed
EP-1296941-A2 3,4-DIHYDROXYBENZYL-SUBSTITUTED CARBONIC ACID DERIVATIVES AND THE USE THEREOF AS ANTIOXIDANTS HAARMANN & REIMER GMBH (DE) 2003-04-02 EP disclosed
WO-2001098235-A2 3,4-DIHYDROXYBENZYL-SUBSTITUTED CARBONIC ACID DERIVATIVES AND THE USE THEREOF AS ANTIOXIDANTS HAARMANN & REIMER GMBH (DE) 2001-12-27 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-20030139470-A1 3,4-dihydroxybenzyl-substituted carbonic acid derivatives and the use thereof as antioxidants TYR, HAAO, TH TSHR 4451/4885TAAR1 1025/4885MAPK1 319/4885

“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.