SCHEMBL161836

SCHEMBL161836

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

nearest known ligand 0.60

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CASP6 P55212 1/20 0.60
TSHR P16473 2/20 0.59
HCAR3 P49019 11/20 0.59
LMNA P02545 2/20 0.55
MAPT P10636 3/20 0.54
MEN1 O00255 1/20 0.54
GAA P10253 1/20 0.54
HPGD P15428 1/20 0.54
KMT2A Q03164 1/20 0.54
VCAM1 P19320 1/20 0.54
ALDH1A1 P00352 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53

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
SCHEMBL30525281 0.90 VCAM1 (0.64) LMNAMAPTMEN1GAAHPGD
SCHEMBL559830 0.90 VCAM1 (0.64) LMNAMAPTMEN1GAAHPGD
Methane SCHEMBL27578247 0.89 VCAM1 (0.62) LMNAMAPTMEN1GAAHPGD
SCHEMBL2116235 0.88 VCAM1 (0.61) CASP6TSHRHCAR3LMNAMAPT
SCHEMBL2388784 0.88 VCAM1 (0.54) LMNAMAPTMEN1GAAHPGD
SCHEMBL2722165 0.88 CASP6 (0.60) CASP6TSHRHCAR3LMNAMAPT
SCHEMBL16960905 0.88 VCAM1 (0.54) TSHRHCAR3LMNAMAPTMEN1
SCHEMBL31548461 0.88 CASP6 (0.60) CASP6TSHRHCAR3LMNAMAPT
SCHEMBL28230999 0.87 MAPT (0.51) CASP6TSHRHCAR3LMNAMAPT
SCHEMBL11685716 0.86 VCAM1 (0.52) TSHRLMNAMAPTMEN1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-122054815-A Optical repair type perovskite photoelectric device and performance repair method thereof 中核光电科技(上海)有限公司 2026-05-15 CN claimed
CN-111116494-B Amide compounds containing quinazolinedione structure, preparation method and application thereof 江苏中旗科技股份有限公司 2022-08-16 CN claimed
CN-111592465-A Method for preparing 2-amino-4-aminomethyl methyl benzoate and hydrochloride thereof 武汉珈汇精化科技有限公司 2020-08-28 CN claimed
CN-111116494-A Amide compounds containing quinazolinedione structure, preparation method and application thereof 江苏中旗科技股份有限公司 2020-05-08 CN claimed
CN-122054815-A Optical repair type perovskite photoelectric device and performance repair method thereof 中核光电科技(上海)有限公司 2026-05-15 CN disclosed
CN-119118994-A Selective glutaminyl cyclase isozyme inhibitor, and preparation method and application thereof 深圳大学 2024-12-13 CN disclosed
CN-118480009-A Compositions and methods for modulating short-chain dehydrogenase activity 卡斯西部储备大学 2024-08-13 CN disclosed
CN-116751187-B Indolyl pyrimidine dual-targeting inhibitor, preparation method and application thereof 西南交通大学 2024-03-19 CN disclosed
US-20240066136-A1 MODIFIED PROTEINS AND PROTEIN DEGRADERS CULLGEN (SHANGHAI), INC. (CN) 2024-02-29 US disclosed
US-20240066136-A1 MODIFIED PROTEINS AND PROTEIN DEGRADERS CULLGEN (SHANGHAI), INC. (CN) 2024-02-29 US disclosed
CN-116940562-A Acetamido-phenylbenzamide derivatives and methods of use thereof 希华医药有限公司 2023-10-24 CN disclosed
US-20230322684-A1 COMPOSITIONS AND METHODS OF MODULATING SHORT-CHAIN DEHYDROGENASE CASE WESTERN RESERVE UNIVERSITY 2023-10-12 US disclosed
WO-1993000095-A2 BICYCLIC FIBRINOGEN ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1993-01-07 WO disclosed
CN-1053063-A Quinazoline derivant and preparation method thereof FUJISAWA PHARMACEUTICAL CO (JP) 1991-07-17 CN disclosed
EP-0436157-A1 Quinazoline derivatives and their preparation FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1991-07-10 EP disclosed
EP-0320939-A2 Silver halide color photographic material FUJI PHOTO FILM CO., LTD. (JP) 1989-06-21 EP disclosed
US-4505794-A PHOTOINITIATORS WITH AMINES FOR PHOTOPOLYMERIZATION OF UNSATURATEDCOMPOUNDS; SOLUBILITY CIBA-GEIGY CORPORATION (US) 1985-03-19 US disclosed
US-4506083-A INITIATORS FOR PHOTOPOLYMERIZATION OR PHOTOCHEMICAL CROSSLINKING CIBA-GEIGY CORPORATION (US) 1985-03-19 US disclosed
US-4056522-A PIGMENTS HOECHST AKTIENGESELLSCHAFT (DT) 1977-11-01 US disclosed
US-4056553-A INTERMEDIATES FOR MONOAZO DYES HOECHST AKTIENGESELLSCHAFT (DT) 1977-11-01 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-20240066136-A1 MODIFIED PROTEINS AND PROTEIN DEGRADERS DDB1, DCLRE1A, MDM2 CASP6 1980/4885TSHR 3370/4885HCAR3 4166/4885
US-20230322684-A1 COMPOSITIONS AND METHODS OF MODULATING SHORT-CHAIN DEHYDROGENASE HPGD, GCDH, HPGDS CASP6 3477/4885TSHR 3972/4885HCAR3 1289/4885

“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.