SCHEMBL5598909

SCHEMBL5598909

C=CCOc1c(C(C)C)cccc1C(C)C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.42
ALOX15 P16050 1/20 0.42
GABRA1 P14867 2/20 0.39
GABRG2 P18507 2/20 0.39
GABRB3 P28472 2/20 0.39
LMNA P02545 2/20 0.39
CYP1A2 P05177 2/20 0.39
FAAH O00519 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CYP3A4 P08684 1/20 0.39
HPGD P15428 1/20 0.39
GABRB1 P18505 1/20 0.39
PTGS1 P23219 1/20 0.39
SLC6A2 P23975 1/20 0.39
HTR2C P28335 1/20 0.39
GABRA5 P31644 1/20 0.39
GABRA3 P34903 1/20 0.39
HTR2B P41595 1/20 0.39
GABRA2 P47869 1/20 0.39

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
SCHEMBL11974252 0.79 ADRB2 (0.50) TSHRLMNACYP1A2CYP3A4HPGD
SCHEMBL13408054 0.77 TSHR (0.47) TSHRALOX15GABRA1GABRG2GABRB3
SCHEMBL11112611 0.77 TSHR (0.47) TSHRALOX15GABRA1GABRG2GABRB3
SCHEMBL16958544 0.77 TSHR (0.39) TSHRALOX15GABRA1GABRG2GABRB3
SCHEMBL3935095 0.76 ADRB2 (0.51) TSHRLMNACYP1A2CYP3A4HPGD
SCHEMBL20355937 0.74 LMNA (0.37) LMNACYP1A2CYP3A4CYP2D6ALDH1A1
SCHEMBL9271255 0.74 GABRA1 (0.52) TSHRALOX15GABRA1GABRG2GABRB3
SCHEMBL5079771 0.74 SCN4A (0.47) TSHRLMNACYP1A2CYP3A4HTR2B
SCHEMBL4077369 0.74 TSHR (0.45) TSHRALOX15GABRA1GABRG2GABRB3
SCHEMBL13896644 0.74 TSHR (0.45) TSHRALOX15GABRA1GABRG2GABRB3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7049388-B2 Process for manufacturing an α-dihydroxy derivative and epoxy resins prepared therefrom DOW GLOBAL TECHNOLOGIES INC. (US) 2006-05-23 US claimed
US-6646102-B2 Epoxidizing an alpha - halohydrin intermediate produced from a halide substitution of an alpha -dihydroxy derivative which has been obtained by a dihydroxylation reaction of an aryl allyl ether, oxidation catalysts DOW GLOBAL TECHNOLOGIES INC. 2003-11-11 US claimed
US-20030105268-A1 Process for manufacturing an alpha-dihydroxy derivative and epoxy resins prepared therefrom DOW GLOBAL TECHNOLOGIES INC. 2003-06-05 US claimed
US-7226946-B2 Substituted phenol compounds useful for anesthesia and sedation THERAVANCE, INC. (US) 2007-06-05 US disclosed
US-7049388-B2 Process for manufacturing an α-dihydroxy derivative and epoxy resins prepared therefrom DOW GLOBAL TECHNOLOGIES INC. (US) 2006-05-23 US disclosed
EP-1406885-B1 PROCESS FOR MANUFACTURING AN A-DIHYDROXY DERIVATIVE AND EPOXY RESINS PREPARED THEREFROM DOW GLOBAL TECHNOLOGIES INC (US) 2006-01-18 EP 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
EP-1406885-A1 PROCESS FOR MANUFACTURING AN A-DIHYDROXY DERIVATIVE AND EPOXY RESINS PREPARED THEREFROM DOW GLOBAL TECHNOLOGIES INC. (US) 2004-04-14 EP disclosed
US-20040049004-A1 Process for manufacturing an alpha-dihydroxy derivative and epoxy resins prepared therefrom THE DOW CHEMICAL COMPANY 2004-03-11 US disclosed
US-6646102-B2 Epoxidizing an alpha - halohydrin intermediate produced from a halide substitution of an alpha -dihydroxy derivative which has been obtained by a dihydroxylation reaction of an aryl allyl ether, oxidation catalysts DOW GLOBAL TECHNOLOGIES INC. 2003-11-11 US disclosed
US-20030119790-A1 Substituted phenol compounds useful for anesthesia and sedation THERAVANCE BIOPHARMA R&D IP, LLC 2003-06-26 US disclosed
US-20030105268-A1 Process for manufacturing an alpha-dihydroxy derivative and epoxy resins prepared therefrom DOW GLOBAL TECHNOLOGIES INC. 2003-06-05 US disclosed
WO-2003026632-A2 SUBSTITUTED PHENOL COMPOUNDS USEFUL FOR ANESTHESIA AND SEDATION THERAVANCE, INC. (US) 2003-04-03 WO disclosed
WO-2003004481-A1 PROCESS FOR MANUFACTURING AN A-DIHYDROXY DERIVATIVE AND EPOXY RESINS PREPARED THEREFROM DOW GLOBAL TECHNOLOGIES INC. (US) 2003-01-16 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 (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 TSHR 2222/4885ALOX15 899/4885GABRA1 55/4885
US-20030119790-A1 Substituted phenol compounds useful for anesthesia and sedation OPRL1, PNMT, PPARG TSHR 2222/4885ALOX15 899/4885GABRA1 55/4885

“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.