SCHEMBL135650

SCHEMBL135650

CCC(C(=O)O)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.62

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 6/20 0.62
AKR1C2 P52895 6/20 0.62
NPC1 O15118 2/20 0.51
ALDH1A1 P00352 3/20 0.49
MEN1 O00255 1/20 0.47
MAPT P10636 1/20 0.47
KMT2A Q03164 1/20 0.47
SRD5A2 P31213 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
KDM4E B2RXH2 1/20 0.46
MAPK1 P28482 1/20 0.46
AKR1C1 Q04828 1/20 0.45
PTGS1 P23219 1/20 0.45
GRM8 O00222 1/20 0.45
GRM6 O15303 1/20 0.45
GRM4 Q14833 1/20 0.45

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
SCHEMBL31718130 1.00 AKR1C3 (0.62) AKR1C3AKR1C2NPC1ALDH1A1MEN1
Hydrochloric Acid SCHEMBL10484221 0.98 AKR1C3 (0.61) AKR1C3AKR1C2NPC1ALDH1A1MEN1
Nitrobenzene SCHEMBL28691684 0.95 AKR1C3 (0.58) AKR1C3AKR1C2NPC1ALDH1A1MEN1
SCHEMBL11563897 0.91 AKR1C3 (0.55) AKR1C3AKR1C2NPC1ALDH1A1MEN1
SCHEMBL1527805 0.87 AKR1C3 (0.50) AKR1C3AKR1C2NPC1ALDH1A1MEN1
SCHEMBL7733304 0.85 NPC1 (0.50) AKR1C3AKR1C2NPC1ALDH1A1MEN1
SCHEMBL6462715 0.85 TSHR (0.49) AKR1C3AKR1C2NPC1ALDH1A1MEN1
SCHEMBL5742182 0.85 ALDH1A1 (0.49) AKR1C3AKR1C2NPC1ALDH1A1MEN1
SCHEMBL12814779 0.84 ALDH1A1 (0.50) AKR1C3AKR1C2NPC1ALDH1A1MEN1
SCHEMBL30728436 0.84 BCL9 (0.73) AKR1C3AKR1C2NPC1ALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-120888531-B Method for synthesizing indobufen intermediate 2- (4-nitrophenyl) butyric acid by using enzymatic method PEKING UNIVERSITY THIRD HOSPITAL (PEKING UNIVERSITY THIRD CLINICAL MEDICAL COLLEGE) (CN) 2026-05-26 CN claimed
CN-118978445-A Method for synthesizing indobufen intermediate 2- (4-nitrophenyl) butyric acid 陕西西岳制药(扶风)有限公司 2024-11-19 CN claimed
CN-118724737-A Preparation method of indobufen and intermediate thereof 福安药业集团重庆博圣制药有限公司 2024-10-01 CN claimed
CN-114940649-B Method for synthesizing indobufen intermediate 2- (4-nitrophenyl) butyric acid 大连万福制药有限公司 2024-07-09 CN claimed
CN-114516799-B Synthesis method of indobufen key intermediate 2- (4-nitrophenyl) butyric acid 杭州中美华东制药有限公司 2024-02-20 CN claimed
CN-117263842-A Preparation method of indobufen 浙江工业大学 2023-12-22 CN claimed
EP-3696264-B1 COMPOSITIONS AND METHODS COMPRISING A LIPOLYTIC ENZYME VARIANT DANISCO US INC (US) 2023-06-28 EP claimed
CN-116338022-A Method for analyzing related substances in indobufen starting material 1 湖南九典制药股份有限公司 2023-06-27 CN claimed
CN-116143643-A Preparation method of 2- (4-aminophenyl) butyric acid 赤峰经方医药技术开发有限责任公司 2023-05-23 CN claimed
CN-114940649-A Method for synthesizing indobufen intermediate 2- (4-nitrophenyl) butyric acid 大连万福制药有限公司 2022-08-26 CN claimed
CN-111386331-A Ester compound, lubricating oil composition containing same, and method for producing same 埃克森美孚化学专利公司 2020-07-07 CN claimed
EP-3022299-B1 COMPOSITIONS AND METHODS COMPRISING A LIPOLYTIC ENZYME VARIANT DANISCO US INC (US) 2020-03-18 EP claimed
US-20190100710-A1 Ester Compounds, Lubricating Oil Compositions Containing Same and Processes for Making Same EXXONMOBIL CHEMICAL PATENTS INC. 2019-04-04 US claimed
WO-2019067061-A1 ESTER COMPOUNDS, LUBRICATING OIL COMPOSITIONS CONTAINING SAME AND PROCESSES FOR MAKING SAME EXXONMOBIL CHEMICAL PATENTS INC. (US) 2019-04-04 WO claimed
US-8623996-B2 Cold active enzyme and method thereof UNIVERSITY PUTRA MALAYSIA (MY) 2014-01-07 US claimed
US-20120058514-A1 COLD ACTIVE ENZYME AND METHOD THEREOF UNIVERSITY PUTRA MALAYSIA (MY) 2012-03-08 US claimed
US-20120058527-A1 CAL A-RELATED ACYLTRANSFERASES AND METHODS OF USE, THEREOF DANISCO US INC. (US) 2012-03-08 US claimed
US-20090128771-A1 FABRICATION METHODS FOR LIQUID CRYSTAL DISPLAY DEVICES INDUSTRIAL TECHNOLOGY RESEARCH INSTITUTE (TW) 2009-05-21 US claimed
EP-0897942-B1 A method of crosslinking collagen-based material and bioprosthetic devices produced therefrom MEDTRONIC INC (US) 2004-03-10 EP claimed
EP-0268452-B1 NOVEL HYDROLASE AND METHOD OF PRODUCTION GENENCOR, INC. (US) 1992-01-22 EP claimed

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-20190100710-A1 Ester Compounds, Lubricating Oil Compositions Containing Same and Processes for Making Same ELOVL1, NOTUM, ELOVL5 AKR1C3 1532/4885AKR1C2 972/4885NPC1 546/4885

“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.