SCHEMBL3033607

SCHEMBL3033607

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

nearest known ligand 0.67

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 1/20 0.67
TBXAS1 P24557 5/20 0.45
CYP19A1 P11511 2/20 0.42
HTT P42858 1/20 0.42
ALDH1A1 P00352 2/20 0.41
GLA P06280 1/20 0.41
POLB P06746 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
MAOA P21397 1/20 0.40
MAOB P27338 1/20 0.40
KDM4E B2RXH2 1/20 0.39
APP P05067 1/20 0.39
APEX1 P27695 2/20 0.39
TP53 P04637 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
SCHEMBL3033605 1.00 AKR1C3 (0.67) AKR1C3TBXAS1CYP19A1HTTALDH1A1
Hydrochloric Acid SCHEMBL1058186 0.98 AKR1C3 (0.64) AKR1C3TBXAS1CYP19A1HTTALDH1A1
Hydrochloric Acid SCHEMBL1058183 0.98 AKR1C3 (0.64) AKR1C3TBXAS1CYP19A1HTTALDH1A1
SCHEMBL2462984 0.89 AKR1C3 (0.82) AKR1C3TBXAS1HTTALDH1A1GLA
SCHEMBL2462983 0.89 AKR1C3 (0.82) AKR1C3TBXAS1HTTALDH1A1GLA
SCHEMBL10078746 0.88 AKR1C3 (0.52) AKR1C3TBXAS1CYP19A1HTTALDH1A1
SCHEMBL10976324 0.85 CYP19A1 (0.47) AKR1C3CYP19A1HTTALDH1A1GLA
SCHEMBL10976321 0.85 CYP19A1 (0.47) AKR1C3CYP19A1HTTALDH1A1GLA
SCHEMBL9065444 0.83 AKR1C3 (0.45) AKR1C3CYP19A1HTTALDH1A1GLA
SCHEMBL9065442 0.83 AKR1C3 (0.45) AKR1C3CYP19A1HTTALDH1A1GLA

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 38 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-115725216-B Bottom anti-reflection coating composition and application thereof 北京科华微电子材料有限公司 2023-10-24 CN disclosed
CN-112384834-B Cured film, alignment material, and retardation material 日产化学株式会社 2023-08-11 CN disclosed
CN-115725216-A Bottom anti-reflection coating composition and application thereof 北京科华微电子材料有限公司 2023-03-03 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-107463066-A Form the composition, orientation material and phase difference material of cured film 日产化学工业株式会社 2017-12-12 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-103842447-A Cured film-forming composition, alignment material, and phase difference material NISSAN CHEMICAL IND LTD 2014-06-04 CN disclosed
US-7855300-B2 Bis(trimethylsilyl)phenyl compound or salt thereof, and use thereof TAIHO PHARMACEUTICAL CO., LTD. (JP) 2010-12-21 US disclosed
US-20100210591-A1 BIS(TRIMETHYLSILYL)PHENYL COMPOUND OR SALT THEREOF, AND USE THEREOF TAIHO PHARMACEUTICAL CO., LTD. (JP) 2010-08-19 US disclosed
EP-2202235-A1 BIS(TRIMETHYLSILYL)PHENYL COMPOUND OR SALT THEREOF, AND USE THEREOF Taiho Pharmaceutical Co., Ltd. (JP) 2010-06-30 EP disclosed
EP-0943601-B1 Vinylcyclopropane-(meth)acrylates as well as their use IVOCLAR VIVADENT AG (LI) 2003-05-02 EP disclosed
EP-0943601-A1 Vinylcyclopropane-(meth)acrylates as well as their use IVOCLAR AG (LI) 1999-09-22 EP disclosed
US-5264513-A Dental adhesive KABUSHIKI KAISHA SHOFU (JP) 1993-11-23 US 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

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-20100210591-A1 BIS(TRIMETHYLSILYL)PHENYL COMPOUND OR SALT THEREOF, AND USE THEREOF RARA, RARB, RXRA AKR1C3 274/4885TBXAS1 1255/4885CYP19A1 968/4885

“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.