SCHEMBL5514047

SCHEMBL5514047

FC(F)(F)c1ccccc1OCC1CO1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.60
GLA P06280 1/20 0.60
TDP1 Q9NUW8 1/20 0.51
TP53 P04637 3/20 0.46
TSHR P16473 3/20 0.46
HIF1A Q16665 2/20 0.46
CYP3A4 P08684 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
RXRA P19793 1/20 0.42
RXRB P28702 1/20 0.42
RXRG P48443 1/20 0.42
MAPT P10636 2/20 0.41
HPGD P15428 2/20 0.41
SSTR4 P31391 1/20 0.41
CYP1A2 P05177 1/20 0.41
PPARG P37231 1/20 0.41
VDR P11473 1/20 0.41
TTR P02766 5/20 0.40

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
SCHEMBL29847840 1.00 ALDH1A1 (0.60) ALDH1A1GLATDP1TP53TSHR
SCHEMBL8159336 0.86 ALDH1A1 (0.64) ALDH1A1GLATDP1TP53TSHR
SCHEMBL11421527 0.84 ALDH1A1 (0.54) ALDH1A1GLATDP1TP53TSHR
SCHEMBL30033688 0.83 ALDH1A1 (0.65) ALDH1A1GLATDP1TP53TSHR
SCHEMBL8695311 0.83 ALDH1A1 (0.65) ALDH1A1GLATDP1TP53TSHR
SCHEMBL241150 0.83 ALDH1A1 (0.65) ALDH1A1GLATDP1TP53TSHR
SCHEMBL2905738 0.83 ALDH1A1 (0.65) ALDH1A1GLATDP1TP53TSHR
SCHEMBL80170 0.83 ALDH1A1 (0.65) ALDH1A1GLATDP1TP53TSHR
SCHEMBL8695675 0.83 ALDH1A1 (0.65) ALDH1A1GLATDP1TP53TSHR
SCHEMBL1682297 0.82 ALDH1A1 (0.58) ALDH1A1GLATDP1TP53TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022262350-A1 SUBSTITUTED DIARYL COMPOUND, AND PREPARATION METHOD THEREFOR AND USE THEREOF 山东第一医科大学(山东省医学科学院) 2022-12-22 WO disclosed
US-20070249702-A1 CALCILYTIC COMPOUNDS GLAXOSMITHKLINE LLC 2007-10-25 US disclosed
US-7202261-B2 Calcilytic compounds NPS PHARMACEUTICALS, INC. (US) 2007-04-10 US disclosed
EP-0901459-B1 CALCILYTIC COMPOUNDS NPS PHARMA INC (US) 2005-06-29 EP disclosed
US-20050032850-A1 Calcilytic compounds NPS PHARMACEUTICALS, INC. 2005-02-10 US disclosed
US-6818660-B2 FOR INHIBITING CALCIUM RECEPTOR ACTIVIT; TO STIMULATE SECRETION OF PARATHYROID HORMONE (PTH); FOR BONE FORMATION NPS PHARMACEUTICALS, INC. 2004-11-16 US disclosed
US-6521667-B1 Calcilytic compounds NPS PHARMACEUTICALS, INC. 2003-02-18 US disclosed
US-6432656-B1 Calcilytic compounds NPS PHARMACEUTICALS, INC. 2002-08-13 US disclosed
US-20020099220-A1 Calcilytic compounds NPS PHARMACEUTICALS, INC. 2002-07-25 US disclosed
US-6022894-A Method of using calcilytic compounds NPS PHARMACEUTICALS, INC. (US) 2000-02-08 US disclosed
EP-0901459-A1 CALCILYTIC COMPOUNDS NPS PHARMACEUTICALS, INC. (US) 1999-03-17 EP disclosed
WO-1997037967-A1 CALCILYTIC COMPOUNDS NPS PHARMACEUTICALS, INC. (US) 1997-10-16 WO disclosed
US-4508916-A Curable substituted urethane acrylates MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1985-04-02 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-20050032850-A1 Calcilytic compounds CALCR, CASR, ORAI1 ALDH1A1 4327/4885GLA 285/4885TDP1 4759/4885
US-20070249702-A1 CALCILYTIC COMPOUNDS CALCR, CASR, ORAI1 ALDH1A1 4327/4885GLA 285/4885TDP1 4759/4885
US-20020099220-A1 Calcilytic compounds CALCR, CASR, CALCRL ALDH1A1 4285/4885GLA 329/4885TDP1 4636/4885

“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.