SCHEMBL5598779

SCHEMBL5598779

C=CCc1cc(C(C)C)c(O)c(C(C)C)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSR P00390 1/20 0.53
CA1 P00915 2/20 0.50
CA2 P00918 2/20 0.50
GABRA1 P14867 6/20 0.47
GABRB1 P18505 5/20 0.47
GABRB2 P47870 4/20 0.47
MAPT P10636 2/20 0.44
GABRA5 P31644 2/20 0.44
GABRA3 P34903 2/20 0.44
GABRA2 P47869 2/20 0.44
GABRA4 P48169 2/20 0.44
GABRA6 Q16445 2/20 0.44
TNKS O95271 2/20 0.42
TNKS2 Q9H2K2 1/20 0.42
XDH P47989 1/20 0.42
PARP1 P09874 1/20 0.42
CCR3 P51677 1/20 0.41
HPGD P15428 2/20 0.41
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 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
SCHEMBL9172144 0.83 CCR3 (0.42) GSRGABRA1GABRB2MAPTTNKS
SCHEMBL4730230 0.82 GSR (0.55) GSRCA1CA2GABRA1GABRB1
SCHEMBL31276672 0.81 GSR (0.50) GSRCA1CA2GABRA1GABRB1
SCHEMBL4948613 0.80 ALDH1A1 (0.35) GSRGABRA1GABRB2MAPTTNKS
SCHEMBL10691515 0.79 XDH (0.61) GABRA1GABRB1GABRB2MAPTGABRA5
SCHEMBL31276167 0.78 GABRA1 (0.54) GSRCA1CA2GABRA1GABRB1
SCHEMBL5599075 0.77 ALDH1A1 (0.44) GABRA1GABRB2MAPTTNKSTNKS2
Water SCHEMBL28264810 0.77 GABRA1 (0.35) GSRGABRA1GABRB1GABRB2MAPT
SCHEMBL9182792 0.77 GSR (0.59) GSRCA1CA2GABRA1GABRB1
SCHEMBL31276121 0.77 GABRA1 (0.53) GSRCA1CA2GABRA1GABRB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118909172-B Anti-aging poly-alpha-olefin, and preparation method and application thereof 天津大学 2025-06-10 CN claimed
US-7226946-B2 Substituted phenol compounds useful for anesthesia and sedation THERAVANCE, INC. (US) 2007-06-05 US disclosed
US-20050032753-A1 Substituted phenol compounds useful for anesthesia and sedation THERAVANCE BIOPHARMA R&D IP, LLC 2005-02-10 US disclosed
US-6815555-B2 CONTAINING AN ESTER, ANHYDRIDE, PHOSPHONATE OR THIOESTER GROUP THERAVANCE, INC. 2004-11-09 US disclosed
EP-1430017-A2 SUBSTITUTED PHENOL COMPOUNDS USEFUL FOR ANESTHESIA AND SEDATION Theravance, Inc. (US) 2004-06-23 EP disclosed
US-20030119790-A1 Substituted phenol compounds useful for anesthesia and sedation THERAVANCE BIOPHARMA R&D IP, LLC 2003-06-26 US disclosed
WO-2003026632-A2 SUBSTITUTED PHENOL COMPOUNDS USEFUL FOR ANESTHESIA AND SEDATION THERAVANCE, INC. (US) 2003-04-03 WO disclosed
EP-0457732-B1 Curable compositions CIBA GEIGY AG (CH) 1995-03-01 EP disclosed
US-5183869-A Bismaleimides, 2-6-dialkyl-4-allylphenols or 2,6-dialkyl-4-allylphenol allyl ethers; crosslinking CIBA-GEIGY CORPORATION (US) 1993-02-02 US disclosed
EP-0457732-A1 Curable compositions CIBA-GEIGY AG (CH) 1991-11-21 EP 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 (2 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-20050032753-A1 Substituted phenol compounds useful for anesthesia and sedation OPRL1, PNMT, PPARG GSR 1588/4885CA1 1352/4885CA2 820/4885
US-20030119790-A1 Substituted phenol compounds useful for anesthesia and sedation OPRL1, PNMT, PPARG GSR 1588/4885CA1 1352/4885CA2 820/4885

“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.