SCHEMBL56951

SCHEMBL56951

COC(=O)c1cncc(C(=O)OC)c1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.77
ALDH1A1 P00352 4/20 0.59
CYP2A6 P11509 1/20 0.56
CYP11B1 P15538 2/20 0.54
CYP11B2 P19099 2/20 0.54
CYP2C9 P11712 1/20 0.53
CYP2C19 P33261 1/20 0.53
CA1 P00915 4/20 0.52
CA2 P00918 4/20 0.52
CA12 O43570 3/20 0.52
CA7 P43166 3/20 0.52
CA9 Q16790 3/20 0.52
CA14 Q9ULX7 3/20 0.52
KDM4E B2RXH2 4/20 0.52
XDH P47989 2/20 0.50
TDP1 Q9NUW8 2/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
LMNA P02545 1/20 0.50
POLB P06746 1/20 0.50
GAA P10253 1/20 0.50

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
Hydrochloric Acid SCHEMBL2298745 0.98 ATM (0.74) ATMALDH1A1CYP2A6CYP11B1CYP11B2
SCHEMBL431955 0.92 ATM (0.67) ATMALDH1A1CYP2A6CYP11B1CYP11B2
SCHEMBL30067639 0.92 ATM (0.67) ATMALDH1A1CYP2A6CYP11B1CYP11B2
SCHEMBL56952 0.92 ATM (0.67) ATMALDH1A1CYP2A6CYP11B1CYP11B2
SCHEMBL4099107 0.90 ATM (0.65) ATMALDH1A1CYP2A6CYP11B1CYP11B2
Hydrochloric Acid SCHEMBL8098340 0.90 ATM (0.65) ATMALDH1A1CYP2A6CYP11B1CYP11B2
Benzene SCHEMBL28318053 0.90 ATM (0.65) ATMALDH1A1CYP2A6CYP11B1CYP11B2
SCHEMBL21366228 0.90 ATM (0.65) ATMALDH1A1CYP2A6CYP11B1CYP11B2
SCHEMBL3715051 0.89 ATM (0.69) ATMALDH1A1CYP2A6CYP11B1CYP11B2
Potassium Ion SCHEMBL4099103 0.88 ATM (0.62) ATMALDH1A1CYP2A6CYP11B1CYP11B2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117344369-A Method for preparing low-humidity water-absorbing aluminum-based MOF material monocrystal based on carboxylate hydrolysis 浙江大学 2024-01-05 CN claimed
CN-1418627-A Nitrophendipine oral disintegrant for treating angina pectoris, and its prepn. method WANG DENGZHI (CN) 2003-05-21 CN claimed
US-5939568-A Accelerated catalysis of olefinic epoxidations THE SCRIPPS RESEARCH INSTITUTE (US) 1999-08-17 US claimed
EP-0167371-B1 DIHYDROPYRIDINE COMPOUNDS, THEIR PRODUCTION, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 1991-03-06 EP claimed
US-4968803-A FLUORINE AS OXIDANT ALLIED-SIGNAL INC. (US) 1990-11-06 US claimed
CN-118879403-A Preparation process based on butter nanometer degumming and neutralization technology 广汉市迈德乐食品有限公司 2024-11-01 CN disclosed
US-20240327385-A1 SUBSTITUTED PIPERIDINE COMPOUNDS AS RENIN INHIBITORS LIANG GUIBAI (US) 2024-10-03 US disclosed
WO-2024153208-A9 MACROCYCLIC COMPOUNDS, PREPARATION METHOD THEREFOR, AND USE THEREOF 劲方医药科技(上海)有限公司 2024-08-22 WO disclosed
CN-118525020-A Compound with CLK and DYRK inhibiting activity, preparation method and application thereof 赛诺哈勃药业(成都)有限公司 2024-08-20 CN disclosed
WO-2024153208-A1 MACROCYCLIC COMPOUNDS, PREPARATION METHOD THEREFOR, AND USE THEREOF 劲方医药科技(上海)有限公司 2024-07-25 WO disclosed
US-20240156780-A1 TLR2 MODULATOR COMPOUNDS, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF AXIAL THERAPEUTICS, INC. (US) 2024-05-16 US disclosed
US-11951094-B2 TLR2 modulator compounds, pharmaceutical compositions and uses thereof AXIAL THERAPEUTICS, INC. (US) 2024-04-09 US disclosed
EP-0052471-B1 PROCESS AND CATALYST FOR POLYMERIZATION OF OLEFINS Asahi Kasei Kogyo Kabushiki Kaisha (JP) 1985-09-18 EP disclosed
US-4526941-A Contacting alpha olefin with catalyst comprising organomagnesium compound, titanium compound, nitrogen or sulfur heterocyclic compound, slurry component and organometallic component ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) 1985-07-02 US disclosed
US-4525555-A TITANIUM COMPOUND SUPPORTED ON SOLID REACTION PRODUCT OF MAGNESIUM HALIDE, SILOXANES, ORGANIC COMPOUNDS NIPPON OIL COMPANY, LIMITED (JP) 1985-06-25 US disclosed
US-4428935-A BETA-LACTAMASE INHIBITORS PFIZER INC. (US) 1984-01-31 US disclosed
EP-0095341-A1 Penicillanic acid dioxide prodrug PFIZER INC. (US) 1983-11-30 EP disclosed
EP-0052471-A1 Process and catalyst for polymerization of olefins Asahi Kasei Kogyo Kabushiki Kaisha (JP) 1982-05-26 EP disclosed
US-4330650-A HAVING MAGNESIUM COMPONENTS, TITANIUM COMPONENTS, ORGANOALUMINUM COMPONENTS AND HETEROCYCLIC CARBOXYLIC ESTER ELECTRON DONOR COMPONENTS ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) 1982-05-18 US disclosed
US-4255280-A ORGANOMAGNESIUM, CHLOROSILANE, TITANIUM, ORGANOMETALLIC AND HETEROCYCLIC ESTER COMPONENTS ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) 1981-03-10 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 (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-20240327385-A1 SUBSTITUTED PIPERIDINE COMPOUNDS AS RENIN INHIBITORS REN, ACE, AGTR1 ATM 4743/4885ALDH1A1 523/4885CYP2A6 769/4885
US-20240156780-A1 TLR2 MODULATOR COMPOUNDS, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF TLR2, TLR3, TLR4 ATM 440/4885ALDH1A1 4063/4885CYP2A6 3780/4885
US-11951094-B2 TLR2 modulator compounds, pharmaceutical compositions and uses thereof TLR2, TLR3, TLR4 ATM 440/4885ALDH1A1 4063/4885CYP2A6 3780/4885

“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.