Sugi Predict

Sugi Predict / Compounds / SCHEMBL9907211

SCHEMBL9907211

SCHEMBL9907211

OCCNP(c1ccccc1)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 2/20 0.41
▸ ALDH1A1 P00352 3/20 0.37
▸ KDM4E B2RXH2 2/20 0.37
▸ LMNA P02545 2/20 0.37
▸ RAB9A P51151 2/20 0.37
▸ GAA P10253 2/20 0.37
▸ MITF O75030 1/20 0.37
▸ TTR P02766 1/20 0.37
▸ GLA P06280 1/20 0.37
▸ RAD52 P43351 1/20 0.37
▸ MAPK1 P28482 1/20 0.36
▸ RECQL P46063 2/20 0.36
▸ MCL1 Q07820 1/20 0.36
▸ CYP3A4 P08684 3/20 0.36
▸ TDP1 Q9NUW8 2/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ HSD17B10 Q99714 1/20 0.34
▸ TSHR P16473 4/20 0.34
▸ ESR1 P03372 2/20 0.33
▸ ESR2 Q92731 2/20 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
SCHEMBL4203004 0.85 CYP3A4 (0.43) ALDH1A1KDM4ELMNARAB9AGAA
SCHEMBL7636331 0.77 KIF11 (0.42) ALDH1A1KDM4ELMNARAB9AMAPK1
SCHEMBL17201445 0.77 SIGMAR1 (0.38) POLBALDH1A1LMNARAB9AGAA
SCHEMBL28580058 0.76 NPC1 (0.50) ALDH1A1KDM4ELMNARAB9AGAA
SCHEMBL30359275 0.74 ALDH1A1 (0.42) POLBALDH1A1KDM4EGAATSHR
SCHEMBL2155415 0.73 KCNN4 (0.44) ALDH1A1KDM4ELMNARAB9AGAA
SCHEMBL9907231 0.72 TAAR1 (0.42) POLBRAB9ARAD52KMT2A
SCHEMBL321882 0.72 TDP1 (0.50) ALDH1A1KDM4ELMNARAB9AGAA
SCHEMBL10712663 0.71 CYP3A4 (0.35) POLBALDH1A1LMNARAB9AGAA
SCHEMBL6275588 0.71 ABAT (0.40) POLBALDH1A1KDM4EGAAGLA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120214988-A1 PHOSPHORAMIDE COMPOUND, METHOD FOR PRODUCING THE SAME, LIGAND, COMPLEX, CATALYST AND METHOD FOR PRODUCING OPTICALLY ACTIVE ALCOHOL SEKISUI MEDICAL CO., LTD. (JP) 2012-08-23 — — US disclosed
US-8198445-B2 Phosphoramide compound, method for producing the same, ligand, complex, catalyst and method for producing optically active alcohol NATIONAL UNIVERSITY CORPORATION NAGOYA UNIVERSITY (JP) 2012-06-12 — — US disclosed
US-20100113786-A1 PHOSPHORAMIDE COMPOUND, METHOD FOR PRODUCING THE SAME, LIGAND, COMPLEX, CATALYST AND METHOD FOR PRODUCING OPTICALLY ACTIVE ALCOHOL NATIONAL UNIVERSITY CORPORATION NAGOYA UNIVERSITY (JP) 2010-05-06 — — 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 (2 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-20100113786-A1 PHOSPHORAMIDE COMPOUND, METHOD FOR PRODUCING THE SAME, LIGAND, COMPLEX, CATALYST AND METHOD FOR PRODUCING OPTICALLY ACTIVE ALCOHOL ADH1C, ADH1A, DERA POLB 2094/4885ALDH1A1 424/4885KDM4E 2808/4885
US-20120214988-A1 PHOSPHORAMIDE COMPOUND, METHOD FOR PRODUCING THE SAME, LIGAND, COMPLEX, CATALYST AND METHOD FOR PRODUCING OPTICALLY ACTIVE ALCOHOL ADH1C, ADH1A, DERA POLB 2094/4885ALDH1A1 424/4885KDM4E 2808/4885

“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.