SCHEMBL17268548

SCHEMBL17268548

CC(OC(=O)C(C)(C)Oc1ccc(C2CC2(Cl)Cl)cc1)O[N+](=O)[O-]

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 4/20 0.59
▸ PPARA Q07869 4/20 0.59
▸ TSHR P16473 3/20 0.59
▸ CYP2C9 P11712 2/20 0.59
▸ BLM P54132 2/20 0.59
▸ MEN1 O00255 5/20 0.40
▸ KMT2A Q03164 5/20 0.40
▸ CYP1A2 P05177 3/20 0.40
▸ CYP3A4 P08684 3/20 0.40
▸ MAPT P10636 3/20 0.40
▸ ABCB11 O95342 2/20 0.40
▸ HTR2A P28223 2/20 0.40
▸ PMP22 Q01453 2/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ MAPK1 P28482 2/20 0.40
▸ CYP2C19 P33261 2/20 0.40
▸ PPARG P37231 2/20 0.40
▸ USP2 O75604 1/20 0.40
▸ ADORA3 P0DMS8 1/20 0.40
▸ ADRB3 P13945 1/20 0.40

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
SCHEMBL9779928 0.78 LMNA (0.74) LMNAPPARATSHRCYP2C9BLM
Ciprofibrate SCHEMBL26870 0.75 PPARA (1.00) LMNAPPARATSHRCYP2C9BLM
SCHEMBL21391383 0.75 PPARA (0.78) LMNAPPARATSHRCYP2C9BLM
Ciprofibrate SCHEMBL8164529 0.75 PPARA (1.00) LMNAPPARATSHRCYP2C9BLM
SCHEMBL11013173 0.75 PPARA (0.69) LMNAPPARATSHRCYP2C9BLM
SCHEMBL21413780 0.74 LMNA (0.67) LMNAPPARATSHRCYP2C9BLM
Fenofibrate SCHEMBL6901888 0.73 PPARA (0.69) LMNAPPARATSHRCYP2C9BLM
SCHEMBL5315412 0.69 LMNA (0.67) LMNAPPARATSHRCYP2C9BLM
SCHEMBL9416371 0.68 LMNA (0.58) LMNAPPARATSHRCYP2C9BLM
SCHEMBL21413779 0.68 LMNA (0.64) LMNAPPARATSHRCYP2C9BLM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180125986-A1 Nitric Oxide Releasing Produgs of Therapeutic Agents SATYAM APPARAO (IN) 2018-05-10 — — US disclosed
US-9844599-B2 Nitric oxide releasing produgs of therapeutic agents SATYAM APPARAO (IN) 2017-12-19 — — US disclosed
US-20150328323-A1 Nitric Oxide Releasing Produgs of Therapeutic Agents SATYAM APPARAO (IN) 2015-11-19 — — 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-20180125986-A1 Nitric Oxide Releasing Produgs of Therapeutic Agents NOS2, NOS1, NOS3 LMNA 1271/4885PPARA 1691/4885TSHR 2059/4885
US-20150328323-A1 Nitric Oxide Releasing Produgs of Therapeutic Agents NOS2, NOS1, PTGIS LMNA 1146/4885PPARA 1672/4885TSHR 2137/4885

“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.

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