SCHEMBL4764468

SCHEMBL4764468

C=Cc1cccc(OCCO)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.52
RECQL P46063 1/20 0.52
FURIN P09958 1/20 0.45
TP53 P04637 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
SYK P43405 1/20 0.41
TLR4 O00206 1/20 0.40
TLR2 O60603 1/20 0.40
S1PR1 P21453 1/20 0.40
S1PR3 Q99500 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
KDM4E B2RXH2 2/20 0.40
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
POLB P06746 1/20 0.39
MAPK1 P28482 1/20 0.39
MAOA P21397 1/20 0.39
MAOB P27338 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
SCHEMBL13625922 0.88 FURIN (0.46) ALDH1A1RECQLFURINTLR4TLR2
SCHEMBL28207056 0.85 TDP1 (0.44) ALDH1A1FURINTP53TDP1SMN1; SMN2
SCHEMBL16958059 0.84 ALDH1A1 (0.53) ALDH1A1RECQLFURINSYKTLR4
SCHEMBL7992660 0.84 FURIN (0.43) ALDH1A1FURINTP53TDP1TLR4
SCHEMBL29898196 0.82 MAOA (0.58) ALDH1A1RECQLFURINTDP1TLR4
SCHEMBL6881704 0.82 ALDH1A1 (0.52) ALDH1A1RECQLFURINTLR4TLR2
SCHEMBL377789 0.82 MAOA (0.58) ALDH1A1RECQLFURINTDP1TLR4
SCHEMBL15599614 0.82 TAAR1 (0.52) FURINTP53TDP1TLR4TLR2
SCHEMBL3566872 0.82 KCNA3 (0.57) ALDH1A1FURINTLR4TLR2SMN1; SMN2
SCHEMBL7992842 0.82 FURIN (0.42) ALDH1A1FURINTP53TDP1TLR4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150297596-A1 ISOXAZOLINES AS THERAPEUTIC AGENTS ABBVIE INC. (US) 2015-10-22 US disclosed
US-20150297596-A1 ISOXAZOLINES AS THERAPEUTIC AGENTS ABBVIE INC. (US) 2015-10-22 US disclosed
EP-2900645-A1 3-PHENYLISOXAZOLIN DERIVATIVES WITH HERBICIDAL ACTION Bayer CropScience AG (DE) 2015-08-05 EP disclosed
US-9029409-B2 Isoxazolines as therapeutic agents ABBVIE INC. (US) 2015-05-12 US disclosed
US-9029409-B2 Isoxazolines as therapeutic agents ABBVIE INC. (US) 2015-05-12 US disclosed
US-20130023526-A1 Isoxazolines as Therapeutic Agents ABBOTT LABORATORIES (US) 2013-01-24 US disclosed
US-20130023526-A1 Isoxazolines as Therapeutic Agents ABBOTT LABORATORIES (US) 2013-01-24 US disclosed
WO-2012151158-A1 ISOXAZOLINES AS THERAPEUTIC AGENTS ABBOTT LABORATORIES (US) 2012-11-08 WO disclosed
EP-1020445-B1 FUSED PYRIDINE DERIVATIVES EISAI R&D MAN CO LTD (JP) 2008-08-13 EP disclosed
EP-1020445-B1 FUSED PYRIDINE DERIVATIVES EISAI R&D MAN CO LTD (JP) 2008-08-13 EP disclosed
US-20070037851-A1 Inhibits binding of CCR3 ligands such as eotaxins to their target cells; inhibits physiological effects of binding; therapeutic and prophylactic agents for asthma, rhinitis, dermatitis, urticaria, conjunctivitis, inflammatory bowel; tissue infiltration of eosinophils, basophils, activated T cells TEIJIN LIMITED, A JAPANESE BODY CORPORATE (JP) 2007-02-15 US disclosed
US-6875761-B2 Certain 1,3-disubstituted isoquinoline derivatives EISAI CO., LTD. (JP) 2005-04-05 US disclosed
US-20040204421-A1 Certain 1,3-disubstituted isoquinoline derivatives EISAI CO., LTD. 2004-10-14 US disclosed
US-6790844-B2 MUSCLE RELAXANTS; ANTISEROTONINE AGENT EISAI CO., LTD (JP) 2004-09-14 US disclosed
US-20020013460-A1 Condensed pyridine compound EISAI CO., LTD 2002-01-31 US disclosed
US-6340759-B1 ANTISPASMODIC AGENTS EISAI CO., LTD. (JP) 2002-01-22 US disclosed
EP-1020445-A1 FUSED PYRIDINE DERIVATIVES Eisai Co., Ltd. (JP) 2000-07-19 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 (5 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-20150297596-A1 ISOXAZOLINES AS THERAPEUTIC AGENTS CYP3A7, CYP11B2, CYP11B1 ALDH1A1 176/4885RECQL 2294/4885FURIN 235/4885
US-20020013460-A1 Condensed pyridine compound MUSK, HTR1A, PAX3 ALDH1A1 2989/4885RECQL 569/4885FURIN 2183/4885
US-20130023526-A1 Isoxazolines as Therapeutic Agents CYP3A7, CYP11B2, CYP11B1 ALDH1A1 176/4885RECQL 2294/4885FURIN 235/4885
US-20070037851-A1 Inhibits binding of CCR3 ligands such as eotaxins to their target cells; inhibits physiological effects of binding; therapeutic and prophylactic agents for asthma, rhinitis, dermatitis, urticaria, conjunctivitis, inflammatory bowel; tissue infiltration of eosinophils, basophils, activated T cells CCR3, CCR1, CCR4 ALDH1A1 486/4885RECQL 3697/4885FURIN 3883/4885
US-20040204421-A1 Certain 1,3-disubstituted isoquinoline derivatives MUSK, HTR1A, RYR1 ALDH1A1 1071/4885RECQL 29/4885FURIN 4156/4885

“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.