SCHEMBL5459769

SCHEMBL5459769

CC(=O)c1cc(C)c(O)cc1F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.41
ALDH1A1 P00352 4/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
HTT P42858 4/20 0.38
CYP3A4 P08684 4/20 0.38
HPGD P15428 4/20 0.38
KDM4E B2RXH2 3/20 0.38
CYP1A2 P05177 2/20 0.38
CYP2D6 P10635 2/20 0.38
CYP2C9 P11712 2/20 0.38
CYP2C19 P33261 2/20 0.38
NPSR1 Q6W5P4 2/20 0.38
MAPT P10636 2/20 0.38
MAPK1 P28482 2/20 0.38
ALOX15 P16050 2/20 0.38
ALOX12 P18054 2/20 0.38
G6PD P11413 1/20 0.38
PKM P14618 1/20 0.38
CCR6 P51684 1/20 0.38
HIF1A Q16665 1/20 0.38

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
SCHEMBL15495179 0.85 ALOX15 (0.47) TSHRALDH1A1SMN1; SMN2HTTCYP3A4
SCHEMBL20934750 0.85 TSHR (0.44) TSHRALDH1A1SMN1; SMN2HTTKDM4E
SCHEMBL24445650 0.83 HTT (0.47) TSHRALDH1A1SMN1; SMN2HTTCYP3A4
SCHEMBL8257879 0.83 TSHR (0.43) TSHRALDH1A1SMN1; SMN2HTTKDM4E
SCHEMBL5461436 0.83 HTT (0.41) TSHRALDH1A1SMN1; SMN2HTTCYP3A4
SCHEMBL3656900 0.80 HTT (0.52) TSHRALDH1A1SMN1; SMN2HTTCYP3A4
SCHEMBL3285509 0.80 ALDH1A1 (0.48) TSHRALDH1A1SMN1; SMN2HTTCYP3A4
SCHEMBL30007557 0.80 HTT (0.52) TSHRALDH1A1SMN1; SMN2HTTCYP3A4
SCHEMBL29657461 0.80 ALDH1A1 (0.48) TSHRALDH1A1SMN1; SMN2HTTCYP3A4
SCHEMBL6561685 0.79 TSHR (0.46) TSHRALDH1A1SMN1; SMN2HTTCYP3A4

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-20070021414-A1 1-'2-(4-Hydroxyphenyl)-2-hydroxyethyl!-piperidin-4-ol compounds as nmda receptor antagonists PFIZER, INC. 2007-01-25 US disclosed
EP-1673366-A1 1-\"2-(4-HYDROXYPHENYL)-2-HYDROXYETHYL]-PIPERIDIN-4-OL COMPOUNDS AS NMDA RECEPTOR ANTAGONISTS Pfizer, Inc. (US) 2006-06-28 EP disclosed
WO-2005035522-A1 1-‘2-(4-HYDROXYPHENYL)-2-HYDROXYETHYL!-PIPERIDIN-4-OL COMPOUNDS AS NMDA RECEPTOR ANTAGONISTS PFIZER JAPAN, INC. (JP) 2005-04-21 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-20070021414-A1 1-'2-(4-Hydroxyphenyl)-2-hydroxyethyl!-piperidin-4-ol compounds as nmda receptor antagonists GRIN1, GRIN3A, GRIN2C TSHR 2101/4885ALDH1A1 893/4885SMN1; SMN2 1879/4885

“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.