SCHEMBL10301530

SCHEMBL10301530

CN(CCc1ccc(O)c(O)c1)CCc1ccc(O)c(O)c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 3/20 0.65
HSD17B10 Q99714 3/20 0.65
DRD2 P14416 3/20 0.65
DRD1 P21728 3/20 0.65
DRD4 P21917 3/20 0.65
DRD5 P21918 3/20 0.65
DRD3 P35462 3/20 0.65
CYP2D6 P10635 3/20 0.65
ADRA1D P25100 2/20 0.65
ADRA1A P35348 2/20 0.65
ADRA1B P35368 2/20 0.65
TSHR P16473 2/20 0.65
NFKB1 P19838 2/20 0.65
CYP3A4 P08684 2/20 0.65
KDM4E B2RXH2 5/20 0.62
PMP22 Q01453 3/20 0.62
ALOX15 P16050 5/20 0.59
IGF1R P08069 3/20 0.59
MAPT P10636 5/20 0.57
ALDH1A1 P00352 3/20 0.57

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
SCHEMBL13886168 0.90 DRD1 (0.59) HIF1AHSD17B10DRD2DRD1DRD4
SCHEMBL10876030 0.89 HSD17B10 (0.63) HIF1AHSD17B10DRD2DRD1DRD4
Hydrochloric Acid SCHEMBL10877816 0.88 DRD2 (0.61) HIF1AHSD17B10DRD2DRD1DRD4
SCHEMBL67764 0.88 HIF1A (0.65) HIF1AHSD17B10DRD2DRD1DRD4
SCHEMBL30141595 0.88 HIF1A (0.65) HIF1AHSD17B10DRD2DRD1DRD4
SCHEMBL14301921 0.87 IGF1R (0.56) HIF1AHSD17B10DRD2DRD1DRD4
Bromide SCHEMBL20854749 0.86 KDM4E (0.66) HIF1AHSD17B10DRD2DRD1DRD4
SCHEMBL7544044 0.84 IGF1R (0.57) HIF1AHSD17B10DRD2DRD1DRD4
SCHEMBL16449326 0.84 DRD2 (0.61) HIF1AHSD17B10DRD2DRD1DRD4
SCHEMBL7319293 0.84 HIF1A (0.61) HIF1AHSD17B10DRD2DRD1DRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9156772-B2 Fluoride-releasing compositions NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2015-10-13 US disclosed
US-20140088308-A1 Fluoride-Releasing Compositions BOARD OF SUPERVISORS OF LOUISIANA STATE UNIVERSITY AND AGRICULTURAL AND MECHANICAL COLLEGE (US) 2014-03-27 US disclosed
US-20120264939-A1 Fluoride-Releasing Compositions NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2012-10-18 US disclosed
US-8217173-B2 Fluoride-releasing compositions BOARD OF SUPERVISORS OF LOUISIANA STATE UNIVERSITY AND AGRICULTURAL AND MECHANICAL COLLEGE (US) 2012-07-10 US disclosed
US-20100261902-A1 Fluoride-Releasing Compositions BOARD OF SUPERVISORS OF LOUISIANA STATE UNIVERSITY (US) 2010-10-14 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 (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-20140088308-A1 Fluoride-Releasing Compositions CHERP, ORAI1, CAD HIF1A 2166/4885HSD17B10 4626/4885DRD2 3035/4885
US-20120264939-A1 Fluoride-Releasing Compositions CHERP, ORAI1, CAD HIF1A 2166/4885HSD17B10 4626/4885DRD2 3035/4885
US-20100261902-A1 Fluoride-Releasing Compositions CHERP, ORAI1, CAD HIF1A 2166/4885HSD17B10 4626/4885DRD2 3035/4885

“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.