SCHEMBL1044029

SCHEMBL1044029

Cc1ccc(-c2c(C)cccc2C)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 5/20 0.44
TDP1 Q9NUW8 1/20 0.44
GRIA1 P42261 2/20 0.44
CACNG8 Q8WXS5 2/20 0.44
SRC P12931 2/20 0.41
CYP1A2 P05177 3/20 0.41
CYP2A6 P11509 2/20 0.41
TSHR P16473 3/20 0.40
CD44 P16070 1/20 0.40
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA7 P43166 1/20 0.39
CA9 Q16790 1/20 0.39
CYP3A4 P08684 1/20 0.39
PIK3CA P42336 1/20 0.39
ALDH1A1 P00352 1/20 0.39
ADORA3 P0DMS8 1/20 0.39
HEXA P06865 1/20 0.38
HEXB P07686 1/20 0.38
HTR7 P34969 1/20 0.38

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
SCHEMBL9681003 0.85 CD44 (0.50) ACHETDP1GRIA1CACNG8SRC
SCHEMBL3355657 0.85 ENPP1 (0.42) ACHETDP1CA1CA2CA7
Methane SCHEMBL11860700 0.84 ENPP1 (0.41) ACHETDP1CA1CA2CA7
SCHEMBL28677960 0.84 ENPP1 (0.35) ACHETDP1GRIA1CACNG8SRC
SCHEMBL27662017 0.81 TAAR1 (0.48) ACHETDP1GRIA1CACNG8CYP1A2
SCHEMBL20684759 0.81 ACHE (0.48) ACHEGRIA1CACNG8SRCCYP1A2
SCHEMBL28388638 0.81 TAAR1 (0.48) ACHETDP1GRIA1CACNG8CYP1A2
SCHEMBL13550660 0.81 CYP3A4 (0.50) ACHETDP1GRIA1CACNG8SRC
SCHEMBL7935194 0.80 ALDH1A1 (0.54) TDP1GRIA1CACNG8CYP2A6TSHR
SCHEMBL4426820 0.80 TSHR (0.50) ACHETDP1CYP1A2CYP2A6TSHR

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2949655-B1 REACTION CATALYST FOR CROSS COUPLING AND METHOD FOR MANUFACTURING AROMATIC COMPOUND HOKKO CHEM IND CO (JP) 2019-05-15 EP disclosed
US-9707551-B2 Reaction catalyst for cross-coupling and method for manufacturing aromatic compound HOKKO CHEMICAL INDUSTRY CO., LTD. (JP) 2017-07-18 US disclosed
US-20150360214-A1 REACTION CATALYST FOR CROSS-COUPLING AND METHOD FOR MANUFACTURING AROMATIC COMPOUND HOKKO CHEMICAL INDUSTRY CO., LTD. (JP) 2015-12-17 US disclosed
EP-2949655-A1 REACTION CATALYST FOR CROSS COUPLING AND METHOD FOR MANUFACTURING AROMATIC COMPOUND Hokko Chemical Industry Co., Ltd. (JP) 2015-12-02 EP disclosed
US-20150224099-A1 ANTITUBERCULOUS COMPOSITION COMPRISING OXAZOLE COMPOUNDS OTSUKA PHARMA CO LTD (JP) 2015-08-13 US disclosed
US-8987304-B2 Antituberculous composition comprising oxazole compounds OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2015-03-24 US disclosed
CN-102816041-A Preparation method of diarylmethane derivatives UNIV WENZHOU 2012-12-12 CN disclosed
EP-2269694-A2 Antituberculous composition comprising oxazole compounds OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2011-01-05 EP disclosed
US-20090275528-A1 ANTITUBERCULOUS COMPOSITION COMPRISING OXAZOLE COMPOUNDS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2009-11-05 US disclosed
WO-2007043542-A9 ANTITUBERCULOUS COMPOSITION COMPRISING OXAZOLE COMPOUNDS OTSUKA PHARMA CO LTD (JP) 2008-05-08 WO 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 (3 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-20150224099-A1 ANTITUBERCULOUS COMPOSITION COMPRISING OXAZOLE COMPOUNDS OXA1L, ARG1, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 ACHE 2191/4885TDP1 4107/4885GRIA1 2450/4885
US-20090275528-A1 ANTITUBERCULOUS COMPOSITION COMPRISING OXAZOLE COMPOUNDS OXA1L, ARG1, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 ACHE 2191/4885TDP1 4107/4885GRIA1 2450/4885
US-20150360214-A1 REACTION CATALYST FOR CROSS-COUPLING AND METHOD FOR MANUFACTURING AROMATIC COMPOUND ALK, HRH4, HRH3 ACHE 1033/4885TDP1 4138/4885GRIA1 254/4885

“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.