SCHEMBL1174445

SCHEMBL1174445

CCC(=Cc1ccc(N)cc1)C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 2/20 0.51
CYP3A4 P08684 2/20 0.44
CYP2C9 P11712 1/20 0.44
EPHX2 P34913 1/20 0.44
PPARG P37231 1/20 0.44
DPEP1 P16444 1/20 0.44
GRIK1 P39086 1/20 0.44
ESR1 P03372 1/20 0.40
RECQL P46063 1/20 0.40
LMNA P02545 1/20 0.38
CYP1A2 P05177 1/20 0.38
MAOA P21397 1/20 0.38
AKR1C3 P42330 1/20 0.37
PSEN1 P49768 1/20 0.37
PSEN2 P49810 1/20 0.37
APH1B Q8WW43 1/20 0.37
NCSTN Q92542 1/20 0.37
APH1A Q96BI3 1/20 0.37
PSENEN Q9NZ42 1/20 0.37
ITGB1 P05556 1/20 0.36

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
SCHEMBL10638498 1.00 TBXAS1 (0.51) TBXAS1CYP3A4CYP2C9EPHX2PPARG
SCHEMBL5173409 0.90 TBXAS1 (0.58) TBXAS1CYP3A4CYP2C9EPHX2PPARG
SCHEMBL6915210 0.85 CYP3A4 (0.47) TBXAS1CYP3A4CYP2C9DPEP1GRIK1
SCHEMBL2673966 0.83 TBXAS1 (0.52) TBXAS1CYP3A4CYP2C9EPHX2PPARG
SCHEMBL2673972 0.83 TBXAS1 (0.52) TBXAS1CYP3A4CYP2C9EPHX2PPARG
SCHEMBL3128764 0.83 ALDH1A1 (0.53) TBXAS1CYP3A4CYP2C9EPHX2PPARG
SCHEMBL5993797 0.83 ALDH1A1 (0.53) TBXAS1CYP3A4CYP2C9EPHX2PPARG
SCHEMBL2271804 0.83 TBXAS1 (0.56) TBXAS1CYP3A4CYP2C9EPHX2PPARG
SCHEMBL15056885 0.83 TBXAS1 (0.52) TBXAS1CYP3A4CYP2C9EPHX2PPARG
SCHEMBL10349544 0.83 ALDH1A1 (0.53) TBXAS1CYP3A4CYP2C9EPHX2PPARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4748161-A Triterpenyl esters of organic acids and hypolipidemic agents composed of them AMANO PHARMACEUTICAL CO., LTD. (JP) 1988-05-31 US claimed
EP-0166542-A2 Triterpenyl esters of organic acids, process for their production, and hypolipidemic agents composed of them AMANO PHARMACEUTICAL CO., LTD. (JP) 1986-01-02 EP claimed
CN-112384834-B Cured film, alignment material, and retardation material 日产化学株式会社 2023-08-11 CN disclosed
CN-114746512-A Composition for forming cured film, alignment material, and phase difference material 日产化学株式会社 2022-07-12 CN disclosed
CN-106980233-B Cured film-forming composition, alignment material, and phase difference material 日产化学工业株式会社 2021-07-13 CN disclosed
CN-112384834-A Cured film, alignment material, and phase difference material 日产化学株式会社 2021-02-19 CN disclosed
CN-107463066-B Cured film-forming composition, alignment material, and phase difference material 日产化学工业株式会社 2020-10-30 CN disclosed
CN-105283512-B Composition for forming cured film, alignment material, and phase difference material 日产化学工业株式会社 2018-12-11 CN disclosed
US-9823400-B2 Cured film formation composition, orientation material, and retardation material NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2017-11-21 US disclosed
CN-104603650-B It is orientated manufacture method, orientation material, the manufacture method of phase difference material and the phase difference material of material 日产化学工业株式会社 2017-06-06 CN disclosed
US-9598547-B2 Cured-film formation composition, orientation material, and retardation material NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2017-03-21 US disclosed
US-6841566-B2 Viral polymerase inhibitors BOEHRINGER INGELHEIM, LTD. (CA) 2005-01-11 US disclosed
US-20040171626-A1 Viral polymerase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2004-09-02 US disclosed
WO-2004065367-A1 VIRAL POLYMERASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2004-08-05 WO disclosed
EP-1411928-A1 VIRAL POLYMERASE INHIBITORS BOEHRINGER INGELHEIM (CANADA) LTD. (CA) 2004-04-28 EP disclosed
US-20030236251-A1 Viral polymerase inhibitors BOEHRINGER INGELHEIM (CANADA) LTD. (CA) 2003-12-25 US disclosed
WO-2003007945-A1 VIRAL POLYMERASE INHIBITORS BOEHRINGER INGELHEIM (CANADA) LTD. (CA) 2003-01-30 WO disclosed
US-4748161-A Triterpenyl esters of organic acids and hypolipidemic agents composed of them AMANO PHARMACEUTICAL CO., LTD. (JP) 1988-05-31 US disclosed
EP-0166542-A2 Triterpenyl esters of organic acids, process for their production, and hypolipidemic agents composed of them AMANO PHARMACEUTICAL CO., LTD. (JP) 1986-01-02 EP disclosed
US-4101543-A DYES FOR CELLULOSE ACETATES, AROMATIC POLYESTERS OR POLYAMIDES PRODUITS CHIMIQUES UGINE KUHLMANN (FR) 1978-07-18 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 (2 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-20030236251-A1 Viral polymerase inhibitors POLR2H, CTDSP1, POLR2E TBXAS1 729/4885CYP3A4 624/4885CYP2C9 1400/4885
US-20040171626-A1 Viral polymerase inhibitors POLM, MED1, POLR2H TBXAS1 2822/4885CYP3A4 2696/4885CYP2C9 2961/4885

“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.