SCHEMBL177125

SCHEMBL177125

Cc1ccc(O[PH](=O)Oc2ccc(C)c(N)c2)cc1N

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.45
TDP1 Q9NUW8 5/20 0.45
CASP1 P29466 1/20 0.45
MAPT P10636 4/20 0.42
CYP3A4 P08684 5/20 0.42
TSHR P16473 4/20 0.40
NR4A1 P22736 1/20 0.35
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
KDM4E B2RXH2 3/20 0.35
NPSR1 Q6W5P4 1/20 0.35
MAPK1 P28482 1/20 0.34
THRB P10828 2/20 0.34
LMNA P02545 1/20 0.34
SMN1; SMN2 Q16637 3/20 0.33
TUBB4A P04350 1/20 0.33
TUBB P07437 1/20 0.33
TUBA3C P0DPH7 1/20 0.33
TUBA1B P68363 1/20 0.33
TUBA4A P68366 1/20 0.33

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
SCHEMBL11042020 0.77 ALDH1A1 (0.63) ALDH1A1TDP1MAPTCYP3A4MEN1
SCHEMBL8167265 0.76 NR4A1 (0.61) ALDH1A1TDP1CASP1MAPTCYP3A4
SCHEMBL11039400 0.76 NR4A1 (0.35) ALDH1A1MAPTNR4A1MEN1KMT2A
SCHEMBL11039151 0.76 TSHR (0.45) ALDH1A1MAPTCYP3A4TSHRNR4A1
SCHEMBL11042061 0.76 ALDH1A1 (0.55) ALDH1A1TDP1MAPTCYP3A4TSHR
SCHEMBL29087015 0.74 NR4A1 (0.48) ALDH1A1TDP1MAPTCYP3A4TSHR
SCHEMBL55593 0.74 ALDH1A1 (0.59) ALDH1A1TDP1CASP1MAPTCYP3A4
SCHEMBL29569367 0.74 ALDH1A1 (0.59) ALDH1A1TDP1CASP1MAPTCYP3A4
SCHEMBL29221829 0.73 ALDH1A1 (0.63) ALDH1A1TDP1MAPTCYP3A4TSHR
SCHEMBL31713018 0.72 ALDH1A1 (0.50) ALDH1A1TDP1CASP1MAPTCYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4230618-A CELLULOSE ICI UNITED STATES, INC. (US) 1980-10-28 US claimed
US-20110251418-A1 CASR AGONISTS AJINOMOTO CO., INC. (JP) 2011-10-13 US disclosed
EP-2345636-A1 CASR AGONIST Ajinomoto Co., Inc. (JP) 2011-07-20 EP disclosed
US-4472308-A Azo dyestuffs containing an amino or acylated amino naphthol monosulfonic acid radical and at least one reactive phosphoric or phosphonic acid group ICI UNITED STATES, INC. (US) 1984-09-18 US disclosed
US-4230618-A CELLULOSE ICI UNITED STATES, INC. (US) 1980-10-28 US disclosed
US-4225491-A REACTIVE DYES FOR COTTON ICI UNITED STATES, INC. (US) 1980-09-30 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-20110251418-A1 CASR AGONISTS CASR, GIPR, GRIK5 ALDH1A1 2705/4885TDP1 3524/4885CASP1 1739/4885

“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.