SCHEMBL6728896

SCHEMBL6728896

CCCC(C([O])=O)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 2/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C9 P11712 1/20 0.49
KCNQ2 O43526 2/20 0.47
LMNA P02545 2/20 0.46
HSD17B10 Q99714 1/20 0.46
AOC3 Q16853 2/20 0.44
EPHX1 P07099 1/20 0.43
POLB P06746 2/20 0.42
ALDH1A1 P00352 1/20 0.42
CES2 O00748 1/20 0.42
CES1 P23141 1/20 0.42
MTNR1A P48039 1/20 0.42
MTNR1B P49286 1/20 0.42
CRHBP P24387 1/20 0.41
CRHR2 Q13324 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
SCHEMBL10906759 0.89 POLB (0.51) LMNAHSD17B10POLBALDH1A1
SCHEMBL10906153 0.87 ASAH1 (0.47) LMNAHSD17B10POLBALDH1A1CES2
SCHEMBL19228532 0.86 CYP2C19 (0.53) CYP2C19CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL643461 0.86 CYP2C19 (0.53) CYP2C19CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL10906658 0.85 NAAA (0.49) POLBALDH1A1CES2CES1
SCHEMBL10906646 0.85 NAAA (0.49) POLBALDH1A1CES2CES1
SCHEMBL10790040 0.85 NAAA (0.49) POLBALDH1A1CES2CES1
SCHEMBL10905511 0.85 NAAA (0.49) POLBALDH1A1CES2CES1
SCHEMBL10907429 0.85 NAAA (0.49) POLBALDH1A1CES2CES1
SCHEMBL13385031 0.84 CYP2C19 (0.49) CYP2C19CYP1A2CYP3A4CYP2D6CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5190946-A Piperazine compounds restore sensitivity to drug resistant cancer cells HOFFMANN-LA ROCHE INC. (US) 1993-03-02 US claimed
EP-0443569-A2 Diamine derivatives and their use in oncology F. HOFFMANN-LA ROCHE AG (CH) 1991-08-28 EP claimed
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
CN-106999379-B Hair deforming agent 花王株式会社 2020-05-05 CN disclosed
EP-3228303-B1 AGENT FOR HAIR DEFORMING TREATMENT KAO CORP (JP) 2020-03-18 EP 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
EP-3463264-A1 METHOD FOR TREATING HAIR Kao Corporation (JP) 2019-04-10 EP disclosed
EP-1187819-B1 N-SUBSTITUTED PERHYDRO DIAZINE BASF AG (DE) 2003-07-23 EP disclosed
EP-0835248-B1 1-AMINO-3-BENZYLURACILS BASF AG (DE) 2001-02-21 EP disclosed
US-6150303-A Substituted 3-phenylisoxazolines BASF AKTIENGESELLSCHAFT (DE) 2000-11-21 US disclosed
CN-1189824-A 1-amino-3-benzyluracils BASF AG (DE) 1998-08-05 CN disclosed
EP-0835248-A1 1-AMINO-3-BENZYLURACILS BASF AKTIENGESELLSCHAFT (DE) 1998-04-15 EP disclosed
WO-1997001543-A1 1-AMINO-3-BENZYLURACILS BASF AKTIENGESELLSCHAFT (DE) 1997-01-16 WO disclosed
US-5190946-A Piperazine compounds restore sensitivity to drug resistant cancer cells HOFFMANN-LA ROCHE INC. (US) 1993-03-02 US disclosed
EP-0443569-A2 Diamine derivatives and their use in oncology F. HOFFMANN-LA ROCHE AG (CH) 1991-08-28 EP disclosed
US-4619794-A Spontaneous preparation of small unilamellar liposomes CIBA-GEIGY CORPORATION (US) 1986-10-28 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 (6 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 CYP2C19 1445/4885CYP1A2 1333/4885CYP3A4 1895/4885
US-10959925-B2 Hair cosmetic composition CUTA, POLR1C, GRHPR CYP2C19 862/4885CYP1A2 710/4885CYP3A4 1786/4885
US-20190254943-A1 HAIR COSMETIC COMPOSITION CUTA, POLR1C, GRHPR CYP2C19 862/4885CYP1A2 710/4885CYP3A4 1786/4885
US-20190125052-A1 METHOD FOR TREATING HAIR GRHPR, TYR, POLR1C CYP2C19 757/4885CYP1A2 352/4885CYP3A4 848/4885
US-20190224093-A1 HAIR COSMETIC COMPOSITION CUTA, GRHPR, POLR1C CYP2C19 1445/4885CYP1A2 1333/4885CYP3A4 1895/4885
US-20190290564-A1 HAIR COSMETIC COMPOSITION GRHPR, POLR1C, TYR CYP2C19 1070/4885CYP1A2 818/4885CYP3A4 1647/4885

“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.