SCHEMBL7620892

SCHEMBL7620892

O=[N+]([O-])c1cccc(P(=O)(c2ccc(C(F)(F)F)cc2)c2cccc([N+](=O)[O-])c2)c1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 3/20 0.46
▸ KIF11 P52732 2/20 0.46
▸ LMNA P02545 2/20 0.46
▸ PTPRC P08575 1/20 0.43
▸ KEAP1 Q14145 1/20 0.42
▸ NFE2L2 Q16236 1/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.41
▸ ALDH1A1 P00352 3/20 0.40
▸ ENPP2 Q13822 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ ACHE P22303 1/20 0.40
▸ GPR17 Q13304 1/20 0.40
▸ ABCG2 Q9UNQ0 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ ALOX15 P16050 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
SCHEMBL7618387 0.88 TSHR (0.46) TSHRKIF11LMNAPTPRCKEAP1
SCHEMBL8408187 0.84 TSHR (0.64) TSHRLMNAPTPRCNPSR1ALDH1A1
SCHEMBL30764114 0.84 TSHR (0.64) TSHRLMNAPTPRCNPSR1ALDH1A1
SCHEMBL4323924 0.83 TSHR (0.50) TSHRLMNANPSR1ALDH1A1MAPT
SCHEMBL30764106 0.82 TSHR (0.57) TSHRLMNANFE2L2NPSR1ALDH1A1
SCHEMBL29176796 0.82 TSHR (0.57) TSHRLMNANFE2L2NPSR1ALDH1A1
SCHEMBL16774768 0.82 TSHR (0.57) TSHRLMNANFE2L2NPSR1ALDH1A1
SCHEMBL19472450 0.82 TSHR (0.45) TSHRKIF11LMNAPTPRCKEAP1
SCHEMBL11991723 0.82 KIF11 (0.43) TSHRKIF11LMNAALDH1A1MAPT
Dinitrophenylene SCHEMBL27713074 0.76 TSHR (0.59) TSHRKIF11LMNAALDH1A1ENPP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020095057-A1 Triarylphosphine oxide derivatives containing fluorine substituent and preparing method thereof KWANGJU INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2002-07-18 — — US claimed
US-20020095057-A1 Triarylphosphine oxide derivatives containing fluorine substituent and preparing method thereof KWANGJU INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2002-07-18 — — 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 (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-20020095057-A1 Triarylphosphine oxide derivatives containing fluorine substituent and preparing method thereof PFAS, PTK2, PARP1 TSHR 1457/4885KIF11 760/4885LMNA 3385/4885

“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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