SCHEMBL3469900

SCHEMBL3469900

[CH2]c1cccc(OCCOCCOCCOCCOC)c1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.46
KDM4E B2RXH2 6/20 0.44
MAPK1 P28482 4/20 0.44
ALDH1A1 P00352 3/20 0.44
TDP1 Q9NUW8 1/20 0.44
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C19 P33261 1/20 0.43
HRH3 Q9Y5N1 1/20 0.43
HTT P42858 1/20 0.42
SYK P43405 1/20 0.42
RECQL P46063 1/20 0.41
MAPT P10636 3/20 0.40
LMNA P02545 1/20 0.40
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 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
SCHEMBL3470996 1.00 TSHR (0.46) TSHRKDM4EMAPK1ALDH1A1TDP1
SCHEMBL3470603 1.00 TSHR (0.46) TSHRKDM4EMAPK1ALDH1A1TDP1
SCHEMBL3469884 0.95 MAPK1 (0.46) TSHRKDM4EMAPK1ALDH1A1CYP1A2
SCHEMBL16668774 0.87 TSHR (0.55) TSHRKDM4EMAPK1ALDH1A1TDP1
SCHEMBL7387402 0.84 KDM4E (0.47) TSHRKDM4EMAPK1ALDH1A1TDP1
SCHEMBL22297588 0.82 KDM4E (0.52) TSHRKDM4EMAPK1ALDH1A1TDP1
SCHEMBL15723552 0.81 MAPK1 (0.58) TSHRKDM4EMAPK1ALDH1A1CYP1A2
SCHEMBL14972871 0.81 MAPK1 (0.61) TSHRKDM4EMAPK1ALDH1A1TDP1
SCHEMBL20126667 0.81 MAPK1 (0.61) TSHRKDM4EMAPK1ALDH1A1TDP1
SCHEMBL13645892 0.81 MAPK1 (0.61) TSHRKDM4EMAPK1ALDH1A1TDP1

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-8476286-B2 for promoting the release of parathyroid hormone, e.g. for preventing or treating bone conditions which are associated with increased calcium depletion or resorption or in which stimulation of bone formation and calcium fixation in the bone is desirable NOVARTIS AG (CH) 2013-07-02 US disclosed
EP-2191832-A1 QUINAZOLINE DERIVATIVES WHICH PROMOTE THE RELEASE OF PARATHYROID HORMONE Novartis AG (CH) 2010-06-02 EP disclosed
US-20040180912-A1 Quinazoline derivatives NOVARTIS AG (CH) 2004-09-16 US disclosed
EP-1401451-A2 QUINAZOLINE DERIVATIVES WHICH PROMOTE THE RELEASE OF PARATHYROID HORMONE Novartis AG (CH) 2004-03-31 EP disclosed
WO-2002102782-A2 QUINAZOLINE DERIVATIVES which PROMOTE THE RELEASE OF PARATHYROID_HORMONE NOVARTIS AG (CH) 2002-12-27 WO 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 (1 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-20040180912-A1 Quinazoline derivatives PTH1R, PTMS, CALCA TSHR 375/4885KDM4E 1025/4885MAPK1 602/4885

“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.