SCHEMBL5758395

SCHEMBL5758395

[c]1nc(OCc2ccco2)cc2ccccc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.40
ADORA3 P0DMS8 1/20 0.35
ALDH1A1 P00352 6/20 0.35
GABRA1 P14867 1/20 0.34
GABRG2 P18507 1/20 0.34
GABRB3 P28472 1/20 0.34
GABRA5 P31644 1/20 0.34
GABRA3 P34903 1/20 0.34
GABRA2 P47869 1/20 0.34
TSHR P16473 3/20 0.33
HSD17B10 Q99714 3/20 0.33
CYP1A2 P05177 3/20 0.33
CYP2D6 P10635 3/20 0.33
CYP2C19 P33261 3/20 0.33
GLA P06280 2/20 0.33
CLK4 Q9HAZ1 2/20 0.33
MAPT P10636 4/20 0.32
MAPK1 P28482 3/20 0.32
ALOX15 P16050 2/20 0.32
USP2 O75604 2/20 0.32

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
SCHEMBL5758366 0.81 HDAC3 (0.35) GAATSHRHSD17B10MAPTNPSR1
SCHEMBL5756817 0.77 CYP3A4 (0.34) ALDH1A1TSHRHSD17B10CYP2D6CYP2C19
SCHEMBL5758319 0.75 HTT (0.36) GAAALDH1A1GABRA1GABRG2GABRB3
SCHEMBL5760008 0.74 GRM5 (0.41) ALDH1A1CYP1A2CYP2D6KDM4ESMN1; SMN2
SCHEMBL5758357 0.72 GAA (0.40) GAAADORA3ALDH1A1GABRA1GABRG2
SCHEMBL5761138 0.71 IDO1 (0.36) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL5758030 0.71 NTRK1 (0.33) ALDH1A1GABRA1GABRG2GABRB3GABRA5
SCHEMBL7637514 0.69 GAA (0.49) GAAADORA3ALDH1A1GABRA1GABRG2
SCHEMBL5760274 0.69 GAA (0.45) GAAADORA3ALDH1A1GABRA1GABRG2
SCHEMBL637145 0.69 KDM4E (0.47) GAAALDH1A1TSHRCYP1A2MAPT

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
EP-1104403-B1 HYDROXY PIPECOLATE HYDROXAMIC ACID DERIVATIVES AS MMP INHIBITORS PFIZER PROD INC (US) 2006-05-10 EP disclosed
US-20050215549-A1 TACE inhibitors MCCLURE KIM F 2005-09-29 US disclosed
EP-1104412-B1 TACE INHIBITORS PFIZER PROD INC (US) 2005-06-15 EP disclosed
US-20030181441-A1 TACE INHIBITORS McCLURE Kim (US) 2003-09-25 US disclosed
US-20030008901-A1 Hydroxy pipecolate hydroxamic acid derivatives MCCLURE KIM F (US) 2003-01-09 US disclosed
US-6329397-B1 TREATMENT OF A CONDITION SELECTED FROM THE GROUP CONSISTING OF ARTHRITIS, CANCER, AND OTHER DISEASES CHARACTERIZED BY MATRIX METALLOPROTEINASE OR MAMMALIAN REPROLYSIN ACTIVITY. PFIZER 2001-12-11 US disclosed
EP-1104412-A1 TACE INHIBITORS Pfizer Products Inc. (US) 2001-06-06 EP disclosed
WO-2000009492-A1 TACE INHIBITORS PFIZER PRODUCTS INC. (US) 2000-02-24 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 (3 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-20030181441-A1 TACE INHIBITORS ADAMTS5, ADAMTS1, MMP2 GAA 172/4885ADORA3 3702/4885ALDH1A1 2961/4885
US-20050215549-A1 TACE inhibitors ADAMTS5, ADAMTS1, MMP2 GAA 279/4885ADORA3 3186/4885ALDH1A1 2994/4885
US-20030008901-A1 Hydroxy pipecolate hydroxamic acid derivatives MMP1, MMP10, MMP3 GAA 1320/4885ADORA3 2730/4885ALDH1A1 2265/4885

“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.