SCHEMBL18372111

SCHEMBL18372111

O=P(c1ccc(F)cc1)(c1ccc(F)cc1)c1c2ccccc2c(-c2ccccc2)c2c3ccccc3c3ccccc3c12

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TOP1 P11387 1/20 0.36
▸ NPSR1 Q6W5P4 4/20 0.34
▸ ACHE P22303 1/20 0.33
▸ KDM4E B2RXH2 2/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ ALDH1A1 P00352 3/20 0.32
▸ TACR1 P25103 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ PPARG P37231 1/20 0.32
▸ NCOA2 Q15596 1/20 0.32
▸ NCOA1 Q15788 1/20 0.32
▸ NCOA3 Q9Y6Q9 1/20 0.32
▸ PTGS1 P23219 3/20 0.31
▸ MAPK14 Q16539 1/20 0.31
▸ PRKAA2 P54646 1/20 0.30

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
SCHEMBL18372118 0.90 NPSR1 (0.36) NPSR1HTTMAPTLMNA
SCHEMBL18372103 0.90 NPSR1 (0.41) NPSR1ACHEKDM4ECYP1A2CYP3A4
SCHEMBL20746673 0.88 NPSR1 (0.38) TOP1NPSR1LMNAKMT2A
SCHEMBL18372082 0.85 KIF11 (0.40) CYP1A2CYP3A4CYP2C19ALDH1A1TACR1
SCHEMBL18372130 0.82 NPSR1 (0.40) NPSR1KDM4EHTTALDH1A1MAPT
SCHEMBL18372140 0.81 ESR1 (0.34) CYP1A2HPGDALDH1A1
SCHEMBL18372136 0.80 LMNA (0.40) TOP1NPSR1KDM4EHTTALDH1A1
SCHEMBL18372115 0.80 LMNA (0.40) TOP1NPSR1KDM4EHTTALDH1A1
SCHEMBL18372163 0.80 LMNA (0.40) TOP1NPSR1KDM4EHTTALDH1A1
SCHEMBL18372109 0.80 ESR1 (0.33) ACHECYP1A2HPGDALDH1A1

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-20170012209-A1 COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENTS, ORGANIC ELECTROLUMINESCENT ELEMENT AND ELECTRONIC DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2017-01-12 — — US disclosed
US-20170012209-A1 COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENTS, ORGANIC ELECTROLUMINESCENT ELEMENT AND ELECTRONIC DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2017-01-12 — — 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-20170012209-A1 COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENTS, ORGANIC ELECTROLUMINESCENT ELEMENT AND ELECTRONIC DEVICE PIEZO1, TERT, TPR TOP1 1992/4885NPSR1 4592/4885ACHE 229/4885

“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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