SCHEMBL9906167

SCHEMBL9906167

OC1(c2ccccc2)CCCCc2ccccc21

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 2/20 0.49
HDAC9 Q9UKV0 1/20 0.47
ADORA3 P0DMS8 1/20 0.47
SIGMAR1 Q99720 3/20 0.44
AKR1C1 Q04828 1/20 0.44
HDAC4 P56524 2/20 0.43
PGR P06401 1/20 0.43
TSHR P16473 1/20 0.43
BRD4 O60885 1/20 0.41

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
SCHEMBL6316631 0.94 PGR (0.47) KDM1AHDAC9ADORA3SIGMAR1AKR1C1
SCHEMBL5796055 0.89 HDAC9 (0.50) KDM1AHDAC9SIGMAR1AKR1C1PGR
SCHEMBL19130584 0.89 HDAC9 (0.50) KDM1AHDAC9SIGMAR1AKR1C1PGR
SCHEMBL4133169 0.81 CYP3A4 (0.58) KDM1AADORA3SIGMAR1PGR
SCHEMBL7072344 0.77 SLC18A3 (0.43) KDM1AHDAC9SIGMAR1PGR
SCHEMBL13599735 0.77 PGR (0.49) KDM1APGR
SCHEMBL7321561 0.77 SIGMAR1 (0.51) KDM1ASIGMAR1
SCHEMBL7885283 0.76 BRD4 (0.40) KDM1AHDAC9ADORA3TSHRBRD4
SCHEMBL10590671 0.76 PGR (0.51) SIGMAR1PGR
SCHEMBL6112941 0.76 MAPT (0.46) SIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140088303-A1 PHOSPHORAMIDE COMPOUND, METHOD FOR PRODUCING THE SAME, LIGAND, COMPLEX, CATALYST AND METHOD FOR PRODUCING OPTICALLY ACTIVE ALCOHOL SEKISUI MEDICAL CO., LTD. (JP) 2014-03-27 US disclosed
US-20140088303-A1 PHOSPHORAMIDE COMPOUND, METHOD FOR PRODUCING THE SAME, LIGAND, COMPLEX, CATALYST AND METHOD FOR PRODUCING OPTICALLY ACTIVE ALCOHOL SEKISUI MEDICAL CO., LTD. (JP) 2014-03-27 US disclosed
US-8624024-B2 Phosphoramide compound, method for producing the same, ligand, complex, catalyst and method for producing optically active alcohol NATIONAL UNIVERSITY CORPORATION NAGOYA UNIVERSITY (JP) 2014-01-07 US disclosed
US-8624024-B2 Phosphoramide compound, method for producing the same, ligand, complex, catalyst and method for producing optically active alcohol NATIONAL UNIVERSITY CORPORATION NAGOYA UNIVERSITY (JP) 2014-01-07 US disclosed
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-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-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
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
EP-2128167-A1 PHOSPHOROAMIDE COMPOUND, METHOD FOR PRODUCING THE SAME, LIGAND, COMPLEX, CATALYST, AND METHOD FOR PRODUCING OPTICALLY ACTIVE ALCOHOL National University Corporation Nagoya University (JP) 2009-12-02 EP 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 (3 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 KDM1A 3189/4885HDAC9 1090/4885ADORA3 3226/4885
US-20120214988-A1 PHOSPHORAMIDE COMPOUND, METHOD FOR PRODUCING THE SAME, LIGAND, COMPLEX, CATALYST AND METHOD FOR PRODUCING OPTICALLY ACTIVE ALCOHOL ADH1C, ADH1A, DERA KDM1A 3189/4885HDAC9 1090/4885ADORA3 3226/4885
US-20140088303-A1 PHOSPHORAMIDE COMPOUND, METHOD FOR PRODUCING THE SAME, LIGAND, COMPLEX, CATALYST AND METHOD FOR PRODUCING OPTICALLY ACTIVE ALCOHOL ADH1C, ADH1A, DERA KDM1A 3189/4885HDAC9 1090/4885ADORA3 3226/4885

“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.