SCHEMBL5433672

SCHEMBL5433672

CC(C)(c1c[nH]c2ccc(O)cc12)c1c[nH]c2ccc(O)cc12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR2C P28335 6/20 0.49
▸ HTR1A P08908 5/20 0.47
▸ CYP2D6 P10635 5/20 0.47
▸ HTR2A P28223 4/20 0.47
▸ CYP2C9 P11712 4/20 0.47
▸ HTR1D P28221 4/20 0.47
▸ CYP1A2 P05177 4/20 0.47
▸ HTR2B P41595 3/20 0.47
▸ KDM4E B2RXH2 3/20 0.47
▸ HTR1B P28222 2/20 0.47
▸ NFKB1 P19838 2/20 0.47
▸ SLC6A4 P31645 2/20 0.47
▸ MEN1 O00255 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ CYP2C19 P33261 1/20 0.47
▸ CYP3A4 P08684 3/20 0.47
▸ TSHR P16473 2/20 0.47
▸ HTR3E A5X5Y0 1/20 0.47
▸ HTR3B O95264 1/20 0.47
▸ DRD1 P21728 1/20 0.47

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
SCHEMBL23552891 0.89 HTR2C (0.49) HTR2CHTR1ACYP2D6HTR2ACYP2C9
SCHEMBL24513290 0.83 HTR1D (0.48) HTR2CHTR1ACYP2D6HTR2ACYP2C9
SCHEMBL6222643 0.82 NPSR1 (0.51) HTR2CHTR1ACYP2D6HTR2ACYP2C9
SCHEMBL22166260 0.82 HTR2C (0.53) HTR2CHTR1ACYP2D6HTR2ACYP2C9
SCHEMBL9536751 0.79 NPSR1 (0.49) HTR2CHTR1ACYP2D6HTR2ACYP2C9
SCHEMBL6218880 0.75 GAA (0.47) CYP2D6CYP2C9HTR1DCYP1A2KDM4E
SCHEMBL664847 0.75 HTR2C (0.53) HTR2CHTR1ACYP2D6HTR2ACYP2C9
SCHEMBL21754253 0.74 HTR2C (0.47) HTR2CHTR1ACYP2D6HTR2ACYP2C9
SCHEMBL5259883 0.74 HTR2C (0.56) HTR2CHTR1ACYP2D6HTR2ACYP2C9
SCHEMBL30686491 0.74 HTR2C (0.56) HTR2CHTR1ACYP2D6HTR2ACYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1893576-A1 TREATMENT OF PROTEIN FOLDING DISORDERS QUEEN'S UNIVERSITY AT KINGSTON (CA) 2008-03-05 — — EP disclosed
US-20070015813-A1 Treatment of protein folding disorders QUEEN'S UNIVERSITY AT KINGSTON (CA) 2007-01-18 — — US disclosed
US-20070015813-A1 Treatment of protein folding disorders QUEEN'S UNIVERSITY AT KINGSTON (CA) 2007-01-18 — — US disclosed
US-20070015813-A1 Treatment of protein folding disorders QUEEN'S UNIVERSITY AT KINGSTON (CA) 2007-01-18 — — US disclosed
WO-2006125324-A1 TREATMENT OF PROTEIN FOLDING DISORDERS QUEEN'S UNIVERSITY AT KINGSTON (CA) 2006-11-30 — — 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-20070015813-A1 Treatment of protein folding disorders HSPA5, TTR, TUFM HTR2C 989/4885HTR1A 710/4885CYP2D6 2920/4885

“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.

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