SCHEMBL754280

SCHEMBL754280

CC1(COCc2ccccc2)CO1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.50
TACR1 P25103 2/20 0.45
ALDH1A1 P00352 3/20 0.40
IDO1 P14902 1/20 0.38
TAAR1 Q96RJ0 1/20 0.36
AGXT P21549 1/20 0.36
LMNA P02545 1/20 0.36
MMP2 P08253 1/20 0.36
MMP3 P08254 1/20 0.36
MMP9 P14780 1/20 0.36
CA1 P00915 3/20 0.36
CA2 P00918 3/20 0.36
CA9 Q16790 3/20 0.36
CA7 P43166 2/20 0.36

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
SCHEMBL1227815 0.89 MAOB (0.48) ALDH1A1LMNAMMP2
SCHEMBL5555166 0.84 TSHR (0.45) TSHRTACR1ALDH1A1IDO1TAAR1
SCHEMBL13279978 0.82 ALDH1A1 (0.50) TSHRTACR1ALDH1A1TAAR1
SCHEMBL22611647 0.82 IDO1 (0.41) IDO1AGXTLMNA
SCHEMBL11021009 0.82 TACR1 (0.30) TSHRTACR1ALDH1A1
SCHEMBL11355291 0.82 TACR1 (0.43) TSHRTACR1ALDH1A1
SCHEMBL28176655 0.82 TACR1 (0.43) TSHRTACR1ALDH1A1
SCHEMBL21082398 0.82 TACR1 (0.43) TSHRTACR1ALDH1A1
SCHEMBL10371092 0.81 TSHR (0.54) TSHRTACR1ALDH1A1IDO1TAAR1
SCHEMBL5575731 0.81 TSHR (0.45) TSHRTACR1ALDH1A1IDO1TAAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022225312-A1 OXAZOLIDINONE DERIVATIVE AND HERBICIDAL COMPOSITION COMPRISING THE COMPOUND 한국화학연구원 2022-10-27 WO disclosed
EP-4029870-A1 TRICYCLIC BENZOXABOROLE COMPOUNDS AND USES THEREOF GlaxoSmithKline Intellectual Property (No.2) Limited (GB) 2022-07-20 EP disclosed
CN-110003253-B Tricyclic benzoxaborole compounds and uses thereof 葛兰素史克知识产权第二有限公司 2022-03-18 CN disclosed
EP-3350170-B1 HETEROARYL COMPOUNDS AS IRAK INHIBITORS AND USES THEREOF MERCK PATENT GMBH (DE) 2022-01-26 EP disclosed
EP-3030519-B1 TRICYCLIC BENZOXABOROLE COMPOUNDS AND USES THEREOF GLAXOSMITHKLINE IP NO 2 LTD (GB) 2022-01-05 EP disclosed
US-11214582-B2 4-substituted benzoxaborole compounds and uses thereof GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2022-01-04 US disclosed
US-11214582-B2 4-substituted benzoxaborole compounds and uses thereof GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2022-01-04 US disclosed
CN-108602776-B Heteroaryl compounds as IRAK inhibitors and uses thereof 默克专利有限公司 2021-12-03 CN disclosed
EP-3350177-B1 HETEROARYL COMPOUNDS AS IRAK INHIBITORS AND USES THEREOF MERCK PATENT GMBH (DE) 2021-07-07 EP disclosed
US-20210053996-A1 4-Substituted Benzoxaborole Compounds and Uses Thereof GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2021-02-25 US disclosed
US-7582355-B2 Optical unit using plastic lenses FUJIFILM CORPORATION (JP) 2009-09-01 US disclosed
US-7563832-B2 Photocurable resin composition and resin composition for plastics comprising the same MITSUI CHEMICALS, INC. (JP) 2009-07-21 US disclosed
CN-100347236-C Photocurable resin composition and resin composition for plastics comprising the same MITSUI CHEMICALS INC (JP) 2007-11-07 CN disclosed
US-20070037896-A1 polymerizable resin composition comprises an epoxy compound, a photo cation polymerization initiator, and a photo radical polymerization initiator; excellent in curing properties and corrosion resistance with less resin coloration and less cure shrinkage; surface protective material for optical disks MITSUI CHEMICALS, INC. (JP) 2007-02-15 US disclosed
US-20060046065-A1 Optical unit using plastic lenses FUJI PHOTO FILM CO., LTD. 2006-03-02 US disclosed
EP-1630189-A1 CATIONICALLY PHOTOPOLYMERIZABLE RESIN COMPOSITION AND OPTICAL DISK SURFACE PROTECTION MATERIAL Mitsui Chemicals, Inc. (JP) 2006-03-01 EP disclosed
EP-1630215-A2 Photocurable resin composition and resin composition for plastics comprising the same Mitsui Chemicals, Inc. (JP) 2006-03-01 EP disclosed
US-20060020051-A1 Photocurable resin composition and resin composition for plastics comprising the same MITSUI CHEMICALS, INC. (JP) 2006-01-26 US disclosed
CN-1724587-A Photocurable resin composition and resin composition for plastics comprising the same MITSUI CHEMICALS INC (JP) 2006-01-25 CN disclosed
US-4259236-A COLORFAST RED SHADES ON POLYESTERS CIBA-GEIGY CORPORATION (US) 1981-03-31 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 (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-20210053996-A1 4-Substituted Benzoxaborole Compounds and Uses Thereof BRI3BP, CBR3, CYCS TSHR 2375/4885TACR1 3965/4885ALDH1A1 3139/4885
US-11214582-B2 4-substituted benzoxaborole compounds and uses thereof BRI3BP, CBR3, CYCS TSHR 2375/4885TACR1 3965/4885ALDH1A1 3139/4885

“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.