SCHEMBL39034

SCHEMBL39034

CCCOC(=O)c1cc(O)cc(O)c1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.74
CA1 P00915 3/20 0.74
CA2 P00918 3/20 0.74
CA7 P43166 3/20 0.74
CA9 Q16790 3/20 0.74
CA14 Q9ULX7 3/20 0.74
ESR1 P03372 10/20 0.69
TSHR P16473 2/20 0.69
ALDH1A1 P00352 2/20 0.69
CHRM1 P11229 1/20 0.69
SLC6A2 P23975 1/20 0.69
KDR P35968 1/20 0.69
TDP1 Q9NUW8 1/20 0.69
LMNA P02545 2/20 0.60
KDM4E B2RXH2 1/20 0.56
POLB P06746 1/20 0.56
CYP1A2 P05177 1/20 0.55
CYP2D6 P10635 1/20 0.55
MAPK1 P28482 1/20 0.55
CYP2C19 P33261 1/20 0.55

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
SCHEMBL19433118 0.90 ESR1 (0.72) CA12CA1CA2CA7CA9
SCHEMBL12756270 0.89 LMNA (0.67) CA12CA1CA2CA7CA9
SCHEMBL3651916 0.89 CA12 (0.69) CA12CA1CA2CA7CA9
SCHEMBL19433120 0.89 ESR1 (0.71) CA12CA1CA2CA7CA9
SCHEMBL1041688 0.87 ESR1 (0.73) CA12CA1CA2CA7CA9
SCHEMBL7855877 0.87 ESR1 (0.73) CA12CA1CA2CA7CA9
SCHEMBL1038766 0.87 ESR1 (0.73) CA12CA1CA2CA7CA9
SCHEMBL1041493 0.87 ESR1 (0.73) CA12CA1CA2CA7CA9
SCHEMBL1042508 0.87 ESR1 (0.73) CA12CA1CA2CA7CA9
Hexyl 3,5-Dihydroxybenzoate SCHEMBL19433100 0.87 ESR1 (0.73) CA12CA1CA2CA7CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11129781-B2 Agent for hair deforming treatment KAO CORPORATION (JP) 2021-09-28 US disclosed
US-11045402-B2 Hair cosmetic composition KAO CORPORATION (JP) 2021-06-29 US disclosed
US-10959925-B2 Hair cosmetic composition KAO CORPORATION (JP) 2021-03-30 US disclosed
EP-3228302-B1 HAIR DEFORMATION TREATMENT AGENT KAO CORP (JP) 2020-09-02 EP disclosed
CN-106999382-B Hair deforming agent 花王株式会社 2020-07-10 CN disclosed
CN-106999380-B Hair deforming agent 花王株式会社 2020-05-05 CN disclosed
US-20190290564-A1 HAIR COSMETIC COMPOSITION KAO CORPORATION (JP) 2019-09-26 US disclosed
US-20190254943-A1 HAIR COSMETIC COMPOSITION KAO CORPORATION (JP) 2019-08-22 US disclosed
US-20190224093-A1 HAIR COSMETIC COMPOSITION KAO CORPORATION (JP) 2019-07-25 US disclosed
US-20190125052-A1 METHOD FOR TREATING HAIR KAO CORPORATION (JP) 2019-05-02 US disclosed
WO-2017207767-A1 HAIR COSMETIC COMPOSITION KAO CORPORATION (JP) 2017-12-07 WO disclosed
WO-2017207786-A1 HAIR COSMETIC COMPOSITION KAO CORPORATION (JP) 2017-12-07 WO disclosed
WO-2017207768-A1 METHOD FOR TREATING HAIR KAO CORPORATION (JP) 2017-12-07 WO disclosed
EP-3228300-A1 HAIR DEFORMATION TREATMENT AGENT Kao Corporation (JP) 2017-10-11 EP disclosed
EP-3228302-A1 HAIR DEFORMATION TREATMENT AGENT Kao Corporation (JP) 2017-10-11 EP disclosed
EP-2584896-A2 HERBICIDAL COMPOSITIONS BASF SE (DE) 2013-05-01 EP disclosed
CN-102958361-A Herbicidal compositions BASF SE 2013-03-06 CN disclosed
WO-2011161105-A2 HERBICIDAL COMPOSITIONS BASF SE (DE) 2011-12-29 WO disclosed
CN-1117785-C Process for synthesizing aromatic aliphatic superbranched polyester UNIV TSINGHUA (CN) 2003-08-13 CN disclosed
CN-1296985-A Process for synthesizing aromatic aliphatic superbranched polyester UNIV QINGHUA (CN) 2001-05-30 CN 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 (7 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-11045402-B2 Hair cosmetic composition CUTA, GRHPR, POLR1C CA12 720/4885CA1 1259/4885CA2 428/4885
US-10959925-B2 Hair cosmetic composition CUTA, POLR1C, GRHPR CA12 567/4885CA1 1108/4885CA2 271/4885
US-20190254943-A1 HAIR COSMETIC COMPOSITION CUTA, POLR1C, GRHPR CA12 567/4885CA1 1108/4885CA2 271/4885
US-20190125052-A1 METHOD FOR TREATING HAIR GRHPR, TYR, POLR1C CA12 687/4885CA1 1096/4885CA2 474/4885
US-20190224093-A1 HAIR COSMETIC COMPOSITION CUTA, GRHPR, POLR1C CA12 720/4885CA1 1259/4885CA2 428/4885
US-11129781-B2 Agent for hair deforming treatment GRHPR, SLC26A4, COL1A1 CA12 1628/4885CA1 1454/4885CA2 739/4885
US-20190290564-A1 HAIR COSMETIC COMPOSITION GRHPR, POLR1C, TYR CA12 745/4885CA1 1405/4885CA2 572/4885

“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.