SCHEMBL461998

SCHEMBL461998

Oc1cccc2c1OCCO2

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ITGB2 P05107 1/20 0.50
ICAM1 P05362 1/20 0.50
ITGAL P20701 1/20 0.50
KDM4E B2RXH2 1/20 0.49
MTNR1A P48039 6/20 0.45
LMNA P02545 2/20 0.44
CRHBP P24387 2/20 0.44
CRHR2 Q13324 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
HTT P42858 1/20 0.44
ADRB1 P08588 1/20 0.44
CTNNB1 P35222 2/20 0.41
WNT3A P56704 2/20 0.41
DAO P14920 1/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
RAB9A P51151 1/20 0.40
CHRNB4 P30926 1/20 0.40
CHRNA3 P32297 1/20 0.40

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
SCHEMBL9535019 0.91 KDM4E (0.42) ITGB2ICAM1ITGALKDM4EMTNR1A
SCHEMBL9534791 0.91 KDM4E (0.42) ITGB2ICAM1ITGALKDM4EMTNR1A
SCHEMBL11188752 0.86 SMN1; SMN2 (0.57) ITGB2ICAM1ITGALKDM4EMTNR1A
SCHEMBL11194835 0.86 SMN1; SMN2 (0.57) ITGB2ICAM1ITGALKDM4EMTNR1A
SCHEMBL118556 0.82 ABCG2 (0.50) KDM4ELMNAGAACHRNB4CHRNA3
Ethoxycarbonyl Group SCHEMBL27398991 0.79 MTNR1A (0.42) KDM4EMTNR1ACTNNB1WNT3ADAO
SCHEMBL3072409 0.76 ITGB2 (0.55) ITGB2ICAM1ITGALKDM4EMTNR1A
SCHEMBL10525725 0.75 ITGB2 (0.60) ITGB2ICAM1ITGALKDM4EMTNR1A
SCHEMBL2938216 0.75 CHEK2 (0.40) ITGB2ICAM1ITGALKDM4EMTNR1A
SCHEMBL3077219 0.75 DRD2 (0.53) ITGB2ICAM1ITGALKDM4ELMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170044418-A1 HIGH TEMPERATURE STABILIZER FOR POLYMER-BASED TREATMENT FLUIDS SCHLUMBERGER TECHNOLOGY CORP (US) 2017-02-16 US claimed
EP-3096735-A1 GRADUAL HAIRCOLOR COMPOSITIONS AND METHODS OF USING THE SAME Combe International Ltd. (US) 2016-11-30 EP claimed
WO-2016160363-A1 METHOD FOR TREATING A SUBTERRANEAN FORMATION SCHLUMBERGER TECHNOLOGY CORPORATION (US) 2016-10-06 WO claimed
US-20160289544-A1 METHOD FOR TREATING A SUBTERRANEAN FORMATION SCHLUMBERGER TECHNOLOGY CORPORATION 2016-10-06 US claimed
CN-105916482-A Gradual hair color compositions and methods of use thereof 酷姆国际公司 2016-08-31 CN claimed
WO-2015171857-A1 HIGH TEMPERATURE STABILIZER FOR POLYMER-BASED TREATMENT FLUIDS SCHLUMBERGER CANADA LIMITED (CA) 2015-11-12 WO claimed
WO-2015112789-A1 GRADUAL HAIRCOLOR COMPOSITIONS AND METHODS OF USING THE SAME COMBE INTERNATIONAL LTD. (US) 2015-07-30 WO claimed
EP-1865914-B1 IMPROVED OXIDATIVE HAIR DYES BOOTS CO PLC (GB) 2012-08-15 EP claimed
EP-1865914-A1 IMPROVED OXIDATIVE HAIR DYES AND RELATED TOPICAL COMPOSITIONS The Boots Company PLC (GB) 2007-12-19 EP claimed
WO-2006106366-A1 IMPROVED OXIDATIVE HAIR DYES AND RELATED TOPICAL COMPOSITIONS THE BOOTS COMPANY PLC (GB) 2006-10-12 WO claimed
US-20030140428-A1 Gradual permanent coloring of hair using dye intermediates in a shampoo base UNILEVER HOME & PERSONAL CARE USA, DIVISION OF CONOPCO, INC. 2003-07-31 US claimed
US-20030074748-A1 Method and composition for the gradual permanent coloring of hair UNILEVER HOME & PERSONAL CARE USA, DIVISION OF CONOPCO, INC. 2003-04-24 US claimed
US-20030040639-A1 Method for the preparation of substituted benzene derivatives H. LUNDBECK A/S (DK) 2003-02-27 US claimed
EP-1246819-A1 A METHOD FOR THE PREPARATION OF SUBSTITUTED BENZENE DERIVATIVES H. Lundbeck A/S (DK) 2002-10-09 EP claimed
WO-2001049681-A1 A METHOD FOR THE PREPARATION OF SUBSTITUTED BENZENE DERIVATIVES H. LUNDBECK A/S (DK) 2001-07-12 WO claimed
US-6074438-A AN OXIDATIVE HAIR DYE MIXTURE COMPRISING PRIMARY INTERMEDIATE AND A COUPLER FORMING AN OXIDATIVE HAIR DYE IN THE PRESENCE OF AN OXIDIZING AGENT BRISTOL-MYERS SQUIBB CO. (US) 2000-06-13 US claimed
US-5540738-A SIMULTANEOUSLY APPLYING IODIDE IONS, AN OXIDANT AND AN EFFECTIVE CONCENTRATION OF AN OXIDATION DYE TO PRODUCE INTENSE COLORS IN ALKALINE SOLUTION CHAN ALEXANDER C (US) 1996-07-30 US claimed
EP-0545257-B1 Oxidative hair coloring compositions and process for dyeing human keratinous fibers BRISTOL MYERS SQUIBB CO (US) 1996-05-29 EP claimed
EP-0545257-A2 Oxidative hair coloring compositions and process for dyeing human keratinous fibers BRISTOL-MYERS SQUIBB COMPANY (US) 1993-06-09 EP claimed
US-4360464-A Process for production of 1-aryloxy-aminopropane derivatives TEIKOKU HORMONE MFG. CO. LTD. (JP) 1982-11-23 US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20030040639-A1 Method for the preparation of substituted benzene derivatives SCLY, CBR3, TST ITGB2 3912/4885ICAM1 3711/4885ITGAL 4470/4885

“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.