SCHEMBL877771

SCHEMBL877771

CC1(C)OCC(C)(C(=O)O)O1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR3 O14843 1/20 0.35
MAPK1 P28482 2/20 0.32
TP53 P04637 1/20 0.32
NFKB1 P19838 1/20 0.32
CYP2C19 P33261 1/20 0.32
THPO P40225 1/20 0.32
STAT6 P42226 1/20 0.32
HIF1A Q16665 1/20 0.32
NPC1 O15118 1/20 0.32
GMNN O75496 1/20 0.32
LMNA P02545 1/20 0.32
MTOR P42345 1/20 0.32
RAB9A P51151 1/20 0.32
BLM P54132 1/20 0.32
PMP22 Q01453 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
KCNA4 P22459 1/20 0.30
KCNA1 Q09470 1/20 0.30
KCNAB1 Q14722 1/20 0.30

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
SCHEMBL1829037 1.00 FFAR3 (0.35) FFAR3MAPK1TP53NFKB1CYP2C19
SCHEMBL877772 1.00 FFAR3 (0.35) FFAR3MAPK1TP53NFKB1CYP2C19
SCHEMBL2035911 0.98 FFAR3 (0.33) FFAR3MAPK1TP53NFKB1CYP2C19
SCHEMBL2657443 0.83 KCNA4 (0.31) KCNA4KCNA1KCNAB1
SCHEMBL335112 0.82
SCHEMBL948961 0.82
SCHEMBL9981013 0.79 FFAR3 (0.41) FFAR3MAPK1TP53NFKB1CYP2C19
SCHEMBL7567329 0.79 FFAR3 (0.33) FFAR3MAPK1TP53NFKB1CYP2C19
SCHEMBL5363480 0.77 CA1 (0.33) KCNA4KCNA1KCNAB1
Lithium Ion SCHEMBL2035907 0.77 KCNA4 (0.32) KCNA4KCNA1KCNAB1

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 36 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11040972-B2 Autotaxin inhibitors and uses thereof SICHUAN HAISCO PHARMACEUTICAL CO., LTD. (CN) 2021-06-22 US disclosed
US-20200354357-A1 AUTOTAXIN INHIBITORS AND USES THEREOF SICHUAN HAISCO PHARMACEUTICAL CO., LTD. (CN) 2020-11-12 US disclosed
US-20160067208-A1 ADHESION PREVENTING AGENT FARNEX INCORPORATED (JP) 2016-03-10 US disclosed
US-20140045797-A1 Bisphosphonate-Prostatic Acid Phosphatase Inhibitor Conjugates To Treat Prostate Cancer Bone Metastasis LEHIGH UNIVERSITY (US) 2014-02-13 US disclosed
US-8557847-B2 Synergistic modulation of FLT3 kinase using a FLT3 inhibitor and a farnesyl transferase inhibitor JANSSEN PHARMACEUTICA, N.V. (BE) 2013-10-15 US disclosed
US-8227627-B2 Prodrugs of tetrahydrocannabinol, compositions comprising prodrugs of tetrahydrocannabinol and methods of using the same ALLTRANZ INC. (US) 2012-07-24 US disclosed
US-20120095211-A1 SUBSTITUTED PROLINE INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2012-04-19 US disclosed
US-20110243884-A1 BIODEGRADABLE POLYMER - BIOACTIVE MOIETY CONJUGATES THE BIONICS INSTITUTE OF AUSTRALIA (AU) 2011-10-06 US disclosed
EP-2355853-A1 BIODEGRADABLE POLYMER - BIOACTIVE MOIETY CONJUGATES The Bionic Ear Institute (AU) 2011-08-17 EP disclosed
EP-2340271-A1 POLYMER-BIOACTIVE AGENT CONJUGATES The Bionic Ear Institute (AU) 2011-07-06 EP disclosed
US-6545001-B2 Antiviral nucleoside analogues BIOCHEM PHARMA, INC. (CA) 2003-04-08 US disclosed
US-6358963-B1 FOR THERAPY OF VIRAL INFECTIONS BIOCHEM PHARMA INC. (CA) 2002-03-19 US disclosed
US-20010049372-A1 Antiviral nucleoside analogues BIOCHEM PHARMA INC. (CA) 2001-12-06 US disclosed
EP-0173714-A4 PREPARATION OF OPTICALLY ACTIVE 1,3-DIOXOLANE-4-METHANOL COMPOUNDS. AMERICAN HOSPITAL SUPPLY CORP (US) 1986-07-24 EP disclosed
EP-0173714-A1 PREPARATION OF OPTICALLY ACTIVE 1,3-DIOXOLANE-4-METHANOL COMPOUNDS. AMERICAN HOSPITAL SUPPLY CORP (US) 1986-03-12 EP disclosed
US-4575558-A Preparation of optically active 1,3-dioxolane-4-methanol compounds AMERICAN HOSPITAL SUPPLY CORPORATION (US) 1986-03-11 US disclosed
WO-1985003704-A1 PREPARATION OF OPTICALLY ACTIVE 1,3-DIOXOLANE-4-METHANOL COMPOUNDS AMERICAN HOSPITAL SUPPLY CORPORATION (US) 1985-08-29 WO disclosed
US-4234490-A Intermediates in the synthesis of vitamin E HOFFMANN-LA ROCHE INC. (US) 1980-11-18 US disclosed
US-4201879-A Hydroquinones HOFFMANN-LA ROCHE INC. (US) 1980-05-06 US disclosed
US-4153614-A Synthesis of (S)-(+)-6-hydroxy-2,5,7,8-tetramethylchroman-2-methanol and intermediates therein HOFFMANN-LA ROCHE INC. (US) 1979-05-08 US 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 (7 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-20120095211-A1 SUBSTITUTED PROLINE INHIBITORS OF HEPATITIS C VIRUS REPLICATION VIP, EIF2AK2, PREP FFAR3 4112/4885MAPK1 2575/4885TP53 561/4885
US-20010049372-A1 Antiviral nucleoside analogues TYMP, SAMHD1, SLC29A1 FFAR3 2878/4885MAPK1 4172/4885TP53 3362/4885
US-20110243884-A1 BIODEGRADABLE POLYMER - BIOACTIVE MOIETY CONJUGATES BMP2, MKI67, FGF2 FFAR3 2070/4885MAPK1 2688/4885TP53 1011/4885
US-20140045797-A1 Bisphosphonate-Prostatic Acid Phosphatase Inhibitor Conjugates To Treat Prostate Cancer Bone Metastasis ACP3, BPGM, GNPAT FFAR3 2745/4885MAPK1 2911/4885TP53 398/4885
US-11040972-B2 Autotaxin inhibitors and uses thereof ENPP2, SERPINB1, RNASE1 FFAR3 4422/4885MAPK1 4053/4885TP53 2434/4885
US-20160067208-A1 ADHESION PREVENTING AGENT EPCAM, ICAM1, VCAM1 FFAR3 4079/4885MAPK1 2208/4885TP53 1940/4885
US-20200354357-A1 AUTOTAXIN INHIBITORS AND USES THEREOF ENPP2, SERPINB1, RNASE1 FFAR3 4422/4885MAPK1 4053/4885TP53 2434/4885

“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.