Sugi Predict

Sugi Predict / Compounds / SCHEMBL2818833

SCHEMBL2818833

SCHEMBL2818833

CCCCC[N+](CCCCC)CCCCC

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 5/20 0.50
▸ THRB P10828 1/20 0.50
▸ ALDH1A1 P00352 5/20 0.48
▸ LMNA P02545 3/20 0.43
▸ HTT P42858 1/20 0.40
▸ SLC22A1 O15245 2/20 0.39
▸ SLC22A2 O15244 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ DNM1 Q05193 4/20 0.38
▸ EPHX2 P34913 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ KMT2A Q03164 1/20 0.37

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
SCHEMBL7698973 0.96 TSHR (0.57) TSHRTHRBALDH1A1LMNAHTT
SCHEMBL7696608 0.96 TSHR (0.57) TSHRTHRBALDH1A1LMNAHTT
SCHEMBL2727729 0.96 TSHR (0.57) TSHRTHRBALDH1A1LMNAHTT
SCHEMBL7702997 0.96 TSHR (0.57) TSHRTHRBALDH1A1LMNAHTT
SCHEMBL7700832 0.96 TSHR (0.57) TSHRTHRBALDH1A1LMNAHTT
SCHEMBL7702332 0.96 TSHR (0.57) TSHRTHRBALDH1A1LMNAHTT
SCHEMBL7694272 0.96 TSHR (0.57) TSHRTHRBALDH1A1LMNAHTT
SCHEMBL7694903 0.96 TSHR (0.57) TSHRTHRBALDH1A1LMNAHTT
SCHEMBL1040798 0.96 TSHR (0.57) TSHRTHRBALDH1A1LMNAHTT
SCHEMBL7696949 0.96 TSHR (0.57) TSHRTHRBALDH1A1LMNAHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1797868-A1 Cosmetic composition comprising a (thio)urethane/(thio)urea copolymer capable of forming at least 3 hydrogen bonds, and process for cosmetic treatment L'Oréal (FR) 2007-06-20 — — EP claimed
EP-1797867-A1 Cosmetic or pharmaceutical composition comprising a copolymer containing at least one ionisable group, and cosmetic treatment L'Oréal (FR) 2007-06-20 — — EP claimed
EP-3548544-B1 AQUEOUS DISPERSION OF POLYALKENE SUPRAMOLECULAR POLYMER AND ITS USE IN COSMETICS OREAL (FR) 2021-07-21 — — EP disclosed
US-10973751-B2 Hair dyeing process comprising a pigment and an aqueous dispersion of supramolecular polymer L'OREAL (FR) 2021-04-13 — — US disclosed
US-20200108007-A1 HAIR DYEING PROCESS COMPRISING A PIGMENT AND AN AQUEOUS DISPERSION OF SUPRAMOLECULAR POLYMER L'OREAL (FR) 2020-04-09 — — US disclosed
EP-3606502-A1 HAIR DYEING PROCESS COMPRISING A PIGMENT AND AN AQUEOUS DISPERSION OF SUPRAMOLECULAR POLYMER L'Oreal (FR) 2020-02-12 — — EP disclosed
EP-3548544-A1 AQUEOUS DISPERSION OF POLYALKENE SUPRAMOLECULAR POLYMER AND ITS USE IN COSMETICS L'OREAL (FR) 2019-10-09 — — EP disclosed
US-20190274946-A1 AQUEOUS DISPERSION OF POLYALKENE SUPRAMOLECULAR POLYMER AND ITS USE IN COSMETICS L'OREAL (FR) 2019-09-12 — — US disclosed
WO-2018185335-A1 HAIR DYEING PROCESS COMPRISING A PIGMENT AND AN AQUEOUS DISPERSION OF SUPRAMOLECULAR POLYMER L'OREAL (FR) 2018-10-11 — — WO disclosed
WO-2018099827-A1 AQUEOUS DISPERSION OF POLYALKENE SUPRAMOLECULAR POLYMER AND ITS USE IN COSMETICS L'OREAL (FR) 2018-06-07 — — WO disclosed
WO-2010146147-A2 COMPOSITION FOR TREATING KERATIN FIBRES COMPRISING A BLOCK COPOLYMER, A SILOXANE RESIN AND A VOLATILE SOLVENT L'OREAL (FR) 2010-12-23 — — WO disclosed
EP-1199306-B1 BIARYLUREA DERIVATIVES BANYU PHARMA CO LTD (JP) 2005-12-07 — — EP disclosed
US-6958333-B1 Biarylurea derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 2005-10-25 — — US disclosed
US-20050176719-A1 Novel pyrazinone derivatives MSD K.K. (JP) 2005-08-11 — — US disclosed
EP-1557168-A2 Biarylurea Derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 2005-07-27 — — EP disclosed
US-6914062-B2 Pyrazinone derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 2005-07-05 — — US disclosed
EP-1295878-B1 PYRAZINONE DERIVATIVES BANYU PHARMA CO LTD (JP) 2004-09-15 — — EP disclosed
US-20030203907-A1 An enzyme inhibitors of cyclin-dependent kinases, antitumor agents; chemical intermediate synthesis MSD K.K. (JP) 2003-10-30 — — US disclosed
EP-1295878-A1 NOVEL PYRAZINONE DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 2003-03-26 — — EP disclosed
EP-1199306-A1 BIARYLUREA DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 2002-04-24 — — 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-20190274946-A1 AQUEOUS DISPERSION OF POLYALKENE SUPRAMOLECULAR POLYMER AND ITS USE IN COSMETICS KRT18, DSG1, CUTA TSHR 4435/4885THRB 4591/4885ALDH1A1 3153/4885
US-20030203907-A1 An enzyme inhibitors of cyclin-dependent kinases, antitumor agents; chemical intermediate synthesis CDK4, CDK6, CCNI TSHR 2964/4885THRB 2625/4885ALDH1A1 1667/4885
US-10973751-B2 Hair dyeing process comprising a pigment and an aqueous dispersion of supramolecular polymer TYR, NACA, POLR1C TSHR 2968/4885THRB 3036/4885ALDH1A1 1434/4885
US-20050176719-A1 Novel pyrazinone derivatives CDK6, CDK4, CDK16 TSHR 2308/4885THRB 1696/4885ALDH1A1 1658/4885
US-20200108007-A1 HAIR DYEING PROCESS COMPRISING A PIGMENT AND AN AQUEOUS DISPERSION OF SUPRAMOLECULAR POLYMER TYR, NACA, POLR1C TSHR 2968/4885THRB 3036/4885ALDH1A1 1434/4885

“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.