SCHEMBL2036656

SCHEMBL2036656

CCCCCCCCCCC(CCCCCCCC)COC(=O)CC(O)C(=O)OCC(CCCCCCCC)CCCCCCCCCC

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.51
CYP3A4 P08684 1/20 0.49
TSHR P16473 1/20 0.49
ATM Q13315 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
MAPT P10636 1/20 0.46
GPR84 Q9NQS5 7/20 0.44
FFAR1 O14842 1/20 0.44
PRSS1 P07477 1/20 0.44
PRSS2 P07478 1/20 0.44
PRSS3 P35030 1/20 0.44
LMNA P02545 2/20 0.44
KDM4E B2RXH2 1/20 0.44
DUSP3 P51452 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
ALDH1A1 P00352 1/20 0.41
TLR4 O00206 1/20 0.41

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
SCHEMBL11655596 1.00 RECQL (0.51) RECQLCYP3A4TSHRATMTDP1
SCHEMBL6557496 0.98 RECQL (0.54) RECQLCYP3A4TSHRATMTDP1
SCHEMBL28958333 0.95 RECQL (0.50) RECQLCYP3A4TSHRATMTDP1
SCHEMBL475612 0.87 RECQL (0.67) RECQLCYP3A4TSHRATMTDP1
SCHEMBL28014163 0.87 GPR84 (0.54) RECQLCYP3A4TSHRATMTDP1
SCHEMBL1695574 0.86 GPR84 (0.55) RECQLCYP3A4TSHRATMTDP1
SCHEMBL5074156 0.86 TSHR (0.54) RECQLCYP3A4TSHRATMTDP1
SCHEMBL5079130 0.86 TSHR (0.54) RECQLCYP3A4TSHRATMTDP1
SCHEMBL5075418 0.86 TSHR (0.54) RECQLCYP3A4TSHRATMTDP1
SCHEMBL5079156 0.86 TSHR (0.54) RECQLCYP3A4TSHRATMTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2651370-B1 COSMETIC COMPOSITION COMPRISING A SUPRAMOLECULAR COMPOUND CAPABLE OF ESTABLISHING HYDROGEN BONDS, A SILICONE OIL AND A WAX OREAL (FR) 2018-11-14 EP claimed
EP-2512428-B1 COSMETIC COMPOSITION COMPRISING A SUPRAMOLECULAR COMPOUND CAPABLE OF ESTABLISHING HYDROGEN BONDS, AND A PARTICULAR OIL L'ORÉAL (FR) 2017-04-05 EP claimed
US-9504856-B2 Composition containing a compound capable of establishing hydrogen bonds, and cosmetic treatment process L'OREAL (FR) 2016-11-29 US claimed
CN-103153276-B Comprise the cosmetic composition of super molecular compound and the specific oil can setting up hydrogen bond L'OREAL (FR) 2015-09-30 CN claimed
EP-2512427-B1 COSMETIC COMPOSITION COMPRISING A SUPRAMOLECULAR COMPOUND CAPABLE OF ESTABLISHING HYDROGEN BONDS, AND A PARTICULAR ADDITIONAL INGREDIENT OREAL (FR) 2013-11-06 EP claimed
EP-2512428-A1 COSMETIC COMPOSITION COMPRISING A SUPRAMOLECULAR COMPOUND CAPABLE OF ESTABLISHING HYDROGEN BONDS, AND A PARTICULAR OIL L'Oréal (FR) 2012-10-24 EP claimed
EP-2512427-A1 COSMETIC COMPOSITION COMPRISING A SUPRAMOLECULAR COMPOUND CAPABLE OF ESTABLISHING HYDROGEN BONDS, AND A PARTICULAR ADDITIONAL INGREDIENT L'Oréal (FR) 2012-10-24 EP claimed
WO-2011073295-A1 COSMETIC COMPOSITION COMPRISING A SUPRAMOLECULAR COMPOUND CAPABLE OF ESTABLISHING HYDROGEN BONDS, AND A PARTICULAR OIL L'OREAL (FR) 2011-06-23 WO claimed
WO-2011073294-A1 COSMETIC COMPOSITION COMPRISING A SUPRAMOLECULAR COMPOUND CAPABLE OF ESTABLISHING HYDROGEN BONDS, AND A PARTICULAR ADDITIONAL INGREDIENT L'OREAL (FR) 2011-06-23 WO claimed
US-4078147-A COSMETICS, EMULSIONS, SOAPS, RINSES THE NISSHIN OIL MILLS, LTD. (JA) 1978-03-07 US claimed
EP-2512428-B1 COSMETIC COMPOSITION COMPRISING A SUPRAMOLECULAR COMPOUND CAPABLE OF ESTABLISHING HYDROGEN BONDS, AND A PARTICULAR OIL L'ORÉAL (FR) 2017-04-05 EP disclosed
US-9504856-B2 Composition containing a compound capable of establishing hydrogen bonds, and cosmetic treatment process L'OREAL (FR) 2016-11-29 US disclosed
CN-103153276-B Comprise the cosmetic composition of super molecular compound and the specific oil can setting up hydrogen bond L'OREAL (FR) 2015-09-30 CN disclosed
US-9017648-B2 Cosmetic composition comprising a supramolecular compound capable of establishing hydrogen bonds, and a particular additional ingredient L'OREAL (FR) 2015-04-28 US disclosed
EP-2512427-B1 COSMETIC COMPOSITION COMPRISING A SUPRAMOLECULAR COMPOUND CAPABLE OF ESTABLISHING HYDROGEN BONDS, AND A PARTICULAR ADDITIONAL INGREDIENT OREAL (FR) 2013-11-06 EP disclosed
EP-2512427-A1 COSMETIC COMPOSITION COMPRISING A SUPRAMOLECULAR COMPOUND CAPABLE OF ESTABLISHING HYDROGEN BONDS, AND A PARTICULAR ADDITIONAL INGREDIENT L'Oréal (FR) 2012-10-24 EP disclosed
WO-2011073295-A1 COSMETIC COMPOSITION COMPRISING A SUPRAMOLECULAR COMPOUND CAPABLE OF ESTABLISHING HYDROGEN BONDS, AND A PARTICULAR OIL L'OREAL (FR) 2011-06-23 WO disclosed
WO-2011073294-A1 COSMETIC COMPOSITION COMPRISING A SUPRAMOLECULAR COMPOUND CAPABLE OF ESTABLISHING HYDROGEN BONDS, AND A PARTICULAR ADDITIONAL INGREDIENT L'OREAL (FR) 2011-06-23 WO disclosed
US-20100028277-A1 COMPOSITION CONTAINING A COMPOUND CAPABLE OF ESTABLISHING HYDROGEN BONDS, AND COSMETIC TREATMENT PROCESS L'OREAL (FR) 2010-02-04 US disclosed
US-4078147-A COSMETICS, EMULSIONS, SOAPS, RINSES THE NISSHIN OIL MILLS, LTD. (JA) 1978-03-07 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 (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-20100028277-A1 COMPOSITION CONTAINING A COMPOUND CAPABLE OF ESTABLISHING HYDROGEN BONDS, AND COSMETIC TREATMENT PROCESS CUTA, ALOX15, DSG1 RECQL 569/4885CYP3A4 3638/4885TSHR 4599/4885

“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.