SCHEMBL13706380

SCHEMBL13706380

CN(c1ccccc1)c1ccc(CO)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 3/20 0.54
▸ CHKA P35790 4/20 0.52
▸ LTA4H P09960 1/20 0.47
▸ NR3C2 P08235 1/20 0.43
▸ NR1I2 O75469 1/20 0.41
▸ ALDH1A1 P00352 3/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ MAPK1 P28482 2/20 0.40
▸ S1PR4 O95977 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ HSP90AA1 P07900 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ S1PR1 P21453 1/20 0.40
▸ CCR6 P51684 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ TLR9 Q9NR96 1/20 0.40
▸ PDK2 Q15119 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38

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
SCHEMBL11310810 0.91 TSHR (0.44) TSHRCHKALTA4HNR1I2ALDH1A1
SCHEMBL439584 0.82 TSHR (0.59) TSHRLTA4HNR1I2ALDH1A1MEN1
SCHEMBL5937231 0.82 CHKA (0.55) CHKANR3C2ALDH1A1MEN1KMT2A
SCHEMBL14488604 0.82 TSHR (0.59) TSHRLTA4HNR1I2ALDH1A1MEN1
SCHEMBL14174076 0.82 TSHR (0.59) TSHRLTA4HNR1I2ALDH1A1MEN1
SCHEMBL279125 0.82 TSHR (0.59) TSHRLTA4HNR1I2ALDH1A1MEN1
Alcohol SCHEMBL11357181 0.81 CHKA (0.48) TSHRCHKANR3C2ALDH1A1MEN1
SCHEMBL7155149 0.81 NR3C2 (0.56) TSHRCHKANR3C2ALDH1A1MEN1
SCHEMBL18873551 0.80 TSHR (0.56) TSHRCHKALTA4HNR3C2ALDH1A1
SCHEMBL13462904 0.80 CHKA (0.58) TSHRCHKANR3C2ALDH1A1MEN1

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-7589081-B2 Nitrogen-containing monodentate phosphines and their use in catalysis DEGUSSA GMBH (DE) 2009-09-15 — — US disclosed
US-20070123707-A1 Nitrogen-containing monodentate phosphines and their use in catalysis DEGUSSA AG (DE) 2007-05-31 — — 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-20070123707-A1 Nitrogen-containing monodentate phosphines and their use in catalysis HDHD5, PNP, PHOSPHO1 TSHR 3705/4885CHKA 1713/4885LTA4H 1900/4885

“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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