SCHEMBL2429316

SCHEMBL2429316

CCCOc1ccc(C)cc1[N+](=O)[O-]

nearest known ligand 0.66

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 11/20 0.66
MAPT P10636 3/20 0.66
LMNA P02545 3/20 0.66
S1PR4 O95977 1/20 0.66
MAPK1 P28482 1/20 0.66
KDM4E B2RXH2 6/20 0.63
GAA P10253 2/20 0.63
HPGD P15428 1/20 0.63
AGTR1 P30556 1/20 0.60
PKM P14618 1/20 0.59
TDP1 Q9NUW8 2/20 0.58
CYP1A2 P05177 2/20 0.58
CYP3A4 P08684 2/20 0.58
CYP2D6 P10635 2/20 0.58
MEN1 O00255 1/20 0.58
CYP2C9 P11712 1/20 0.58
CYP2C19 P33261 1/20 0.58
KMT2A Q03164 1/20 0.58

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 SCHEMBL514378 0.97 ALDH1A1 (0.63) ALDH1A1MAPTLMNAS1PR4MAPK1
SCHEMBL13339084 0.89 ALDH1A1 (0.61) ALDH1A1MAPTLMNAS1PR4MAPK1
SCHEMBL1342619 0.87 ALDH1A1 (0.57) ALDH1A1MAPTLMNAS1PR4MAPK1
SCHEMBL2611830 0.87 ALDH1A1 (0.61) ALDH1A1MAPTLMNAS1PR4MAPK1
SCHEMBL11816550 0.86 ALDH1A1 (0.64) ALDH1A1MAPTLMNAS1PR4MAPK1
SCHEMBL12281080 0.86 S1PR4 (0.68) ALDH1A1MAPTLMNAS1PR4MAPK1
SCHEMBL14033156 0.86 ALDH1A1 (0.72) ALDH1A1MAPTLMNAS1PR4MAPK1
SCHEMBL4861669 0.86 KDM4E (0.65) ALDH1A1MAPTLMNAS1PR4MAPK1
Hydrochloric Acid SCHEMBL514986 0.84 ALDH1A1 (0.55) ALDH1A1MAPTLMNAS1PR4MAPK1
SCHEMBL8973132 0.84 CYP19A1 (0.57) ALDH1A1MAPTLMNAKDM4EPKM

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230077362-A1 MOLECULES HAVING CERTAIN PESTICIDAL UTILITIES, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES RELATED THERETO CORTEVA AGRISCIENCE LLC (US) 2023-03-16 US disclosed
EP-3998858-A1 MOLECULES HAVING CERTAIN PESTICIDAL UTILITIES, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES RELATED THERETO Corteva Agriscience LLC (US) 2022-05-25 EP disclosed
CN-114072000-A Molecules having certain pesticidal effects and intermediates, compositions and methods related thereto 科迪华农业科技有限责任公司 2022-02-18 CN disclosed
WO-2021011722-A1 MOLECULES HAVING CERTAIN PESTICIDAL UTILITIES, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES RELATED THERETO DOW AGROSCIENCES LLC (US) 2021-01-21 WO disclosed
WO-2021011722-A1 MOLECULES HAVING CERTAIN PESTICIDAL UTILITIES, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES RELATED THERETO DOW AGROSCIENCES LLC (US) 2021-01-21 WO disclosed
EP-2364706-B1 PHARMACEUTICAL AGENT COMPRISING QUINOLONE COMPOUND OTSUKA PHARMA CO LTD (JP) 2015-07-29 EP disclosed
US-20150011446-A1 (PER)FLUOROPOLYETHERS WITH bi- OR ter-PHENYL END GROUPS SOLVAY SPECIALTY POLYMERS ITALY S.P.A. (IT) 2015-01-08 US disclosed
US-20130217678-A1 PHARMACEUTICAL AGENT COMPRISING QUINOLONE COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-08-22 US disclosed
US-20110251180-A1 PHARMACEUTICAL AGENT COMPRISING QUINOLONE COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2011-10-13 US disclosed
EP-2364706-A1 PHARMACEUTICAL AGENT COMPRISING QUINOLONE COMPOUND Otsuka Pharmaceutical Co., Ltd. (JP) 2011-09-14 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 (4 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-20110251180-A1 PHARMACEUTICAL AGENT COMPRISING QUINOLONE COMPOUND PARK7, SNCA, LRRK2 ALDH1A1 568/4885MAPT 1036/4885LMNA 4163/4885
US-20230077362-A1 MOLECULES HAVING CERTAIN PESTICIDAL UTILITIES, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES RELATED THERETO ACHE, DDT, MLYCD ALDH1A1 150/4885MAPT 2206/4885LMNA 2783/4885
US-20150011446-A1 (PER)FLUOROPOLYETHERS WITH bi- OR ter-PHENYL END GROUPS PPARG, PARG, LIPC ALDH1A1 2652/4885MAPT 1903/4885LMNA 1076/4885
US-20130217678-A1 PHARMACEUTICAL AGENT COMPRISING QUINOLONE COMPOUND PARK7, SNCA, LRRK2 ALDH1A1 568/4885MAPT 1036/4885LMNA 4163/4885

“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.