SCHEMBL2976159

SCHEMBL2976159

COc1ccc(CP(O)Cc2ccc(OC)cc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 4/20 0.52
ALDH1A1 P00352 3/20 0.52
PKM P14618 1/20 0.52
CA12 O43570 1/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
CA7 P43166 1/20 0.50
CA9 Q16790 1/20 0.50
CA14 Q9ULX7 1/20 0.50
CALM1 P0DP23 1/20 0.48
AGXT P21549 2/20 0.48
LTA4H P09960 1/20 0.48
TAAR1 Q96RJ0 1/20 0.48
SAE1 Q9UBE0 1/20 0.47
UBA2 Q9UBT2 1/20 0.47
HTT P42858 1/20 0.47
LDHA P00338 1/20 0.47
TP53 P04637 1/20 0.47
CYP3A4 P08684 1/20 0.47
ALOX15 P16050 1/20 0.47

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
SCHEMBL8386777 0.86 IDO1 (0.52) IDO1ALDH1A1PKMCA12CA1
SCHEMBL380362 0.81 IDO1 (0.56) IDO1ALDH1A1CA12CA1CA2
SCHEMBL9405361 0.79 IDO1 (0.54) IDO1ALDH1A1CA12CA1CA2
SCHEMBL6476003 0.79 IDO1 (0.54) IDO1ALDH1A1CA12CA1CA2
SCHEMBL9879256 0.77 IDO1 (0.52) IDO1ALDH1A1CA12CA1CA2
SCHEMBL7532634 0.77 IDO1 (0.58) IDO1ALDH1A1CA12CA1CA2
SCHEMBL9405362 0.76 IDO1 (0.50) IDO1ALDH1A1CA12CA1CA2
SCHEMBL5452410 0.74 IDO1 (0.55) IDO1CA12CA1CA2CA7
SCHEMBL8389197 0.74 IDO1 (0.55) IDO1CA12CA1CA2CA7
SCHEMBL14604190 0.74 LTA4H (0.55) IDO1AGXTLTA4HTAAR1HTT

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-7781425-B2 Guanidine compound and asymmetric reaction using the same TAKASAGO INTERNATIONAL COPORATION (JP) 2010-08-24 US disclosed
US-20080154036-A1 Guanidine Compound and Asymmetric Reaction Using the Same TAKASAGO INTERNATIONAL CORPORATION (JP) 2008-06-26 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-20080154036-A1 Guanidine Compound and Asymmetric Reaction Using the Same GEMIN5, PRMT5, SMS IDO1 731/4885ALDH1A1 2039/4885PKM 2317/4885

“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.