SCHEMBL267004

SCHEMBL267004

CCN(CC)CCN(C)Cc1cccc(C(=O)Nc2ccc(OCCOC)cc2C(=O)OC)c1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDR P35968 1/20 0.44
KDM4E B2RXH2 2/20 0.43
ALDH1A1 P00352 2/20 0.43
HPGD P15428 2/20 0.43
AKR1C2 P52895 2/20 0.43
AKR1C1 Q04828 2/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
ACHE P22303 7/20 0.42
MAPK14 Q16539 1/20 0.42
BCHE P06276 5/20 0.41
SLC34A2 O95436 1/20 0.40
F10 P00742 1/20 0.40
MAPT P10636 1/20 0.40
MAOB P27338 1/20 0.39
THRB P10828 1/20 0.39

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
SCHEMBL267951 0.87 BCHE (0.47) KDM4ENPC1RAB9ASMN1; SMN2ACHE
SCHEMBL268607 0.84 NPC1 (0.43) KDRKDM4EALDH1A1HPGDNPC1
SCHEMBL268608 0.84 NPC1 (0.43) KDRKDM4EALDH1A1HPGDNPC1
SCHEMBL267979 0.83 MAPT (0.48) KDM4EALDH1A1HPGDNPC1RAB9A
SCHEMBL267980 0.83 MAPT (0.48) KDM4EALDH1A1HPGDNPC1RAB9A
SCHEMBL267335 0.83 SMN1; SMN2 (0.43) KDM4EALDH1A1HPGDNPC1RAB9A
SCHEMBL268957 0.83 SLC34A2 (0.47) KDRKDM4EALDH1A1HPGDNPC1
SCHEMBL268047 0.83 NPC1 (0.42) KDM4EALDH1A1HPGDNPC1RAB9A
SCHEMBL268048 0.83 NPC1 (0.42) KDM4EALDH1A1HPGDNPC1RAB9A
SCHEMBL268956 0.83 SLC34A2 (0.47) KDRKDM4EALDH1A1HPGDNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120115851-A1 COMPOUND INHIBITING IN VIVO PHOSPHORUS TRANSPORT AND MEDICINE CONTAINING THE SAME KYOWA HAKKO KIRIN CO., LTD. (JP) 2012-05-10 US disclosed
US-8134015-B2 Compound inhibiting in vivo phosphorous transport and medicine containing the same KYOWA HAKKO KIRIN CO., LTD. (JP) 2012-03-13 US disclosed
US-20060217426-A1 Compound inhibiting in vivo phosphorous transport and medicine containing the same KIRIN BEER KABUSHIKI KAISHA (JP) 2006-09-28 US disclosed
EP-1614676-A1 COMPOUND INHIBITING IN VIVO PHOSPHORUS TRANSPORT AND MEDICINE CONTAINING THE SAME KIRIN BEER KABUSHIKI KAISHA (JP) 2006-01-11 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 (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-20060217426-A1 Compound inhibiting in vivo phosphorous transport and medicine containing the same SLC10A6, SLC7A1, SLC10A1 KDR 694/4885KDM4E 4468/4885ALDH1A1 3022/4885
US-20120115851-A1 COMPOUND INHIBITING IN VIVO PHOSPHORUS TRANSPORT AND MEDICINE CONTAINING THE SAME SLC34A1, SLC34A2, SLC20A2 KDR 1104/4885KDM4E 4535/4885ALDH1A1 2872/4885

“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.