SCHEMBL4125728

SCHEMBL4125728

CC(C)c1nnnn1C1CCNCC1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.47
TSHR P16473 9/20 0.44
LMNA P02545 3/20 0.40
MEN1 O00255 6/20 0.40
KMT2A Q03164 6/20 0.40
NPSR1 Q6W5P4 9/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MAPT P10636 1/20 0.38
PKM P14618 1/20 0.38
ALOX15 P16050 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
HTT P42858 2/20 0.37
GAA P10253 1/20 0.37

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
SCHEMBL9963184 0.89 ALDH1A1 (0.51) ALDH1A1TSHRLMNAMEN1KMT2A
SCHEMBL23136906 0.85 ALDH1A1 (0.57) ALDH1A1TSHRLMNAMEN1KMT2A
SCHEMBL23136905 0.85 ALDH1A1 (0.60) ALDH1A1TSHRLMNAMEN1KMT2A
SCHEMBL9965906 0.78 ALDH1A1 (0.40) ALDH1A1TSHRMEN1KMT2ANPSR1
Hydrochloric Acid SCHEMBL22528409 0.76 ALDH1A1 (0.39) ALDH1A1TSHRMEN1KMT2ANPSR1
SCHEMBL24969367 0.74 MEN1 (0.37) ALDH1A1MEN1KMT2AMAPTPKM
SCHEMBL22541489 0.73 ALDH1A1 (0.39) ALDH1A1TSHRMEN1KMT2AMAPT
SCHEMBL3600694 0.70 CCR5 (0.40)
SCHEMBL1514757 0.69 MEN1 (0.39) ALDH1A1TSHRMEN1KMT2AMAPT
Hydrochloric Acid SCHEMBL16992153 0.68 MEN1 (0.41) ALDH1A1TSHRMEN1KMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090209578-A1 CHEMICAL COMPOUNDS PFIZER INC 2009-08-20 US disclosed
US-20090209578-A1 CHEMICAL COMPOUNDS PFIZER INC 2009-08-20 US disclosed
US-20090209578-A1 CHEMICAL COMPOUNDS PFIZER INC 2009-08-20 US disclosed
EP-1963303-A2 CHEMICAL COMPOUNDS Pfizer Limited (GB) 2008-09-03 EP disclosed
WO-2007066201-A2 CHEMICAL COMPOUNDS PFIZER LIMITED (GB) 2007-06-14 WO disclosed
WO-2007066201-A2 CHEMICAL COMPOUNDS PFIZER LIMITED (GB) 2007-06-14 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-20090209578-A1 CHEMICAL COMPOUNDS CCR5, CXCR3, CXCR1 ALDH1A1 1442/4885TSHR 859/4885LMNA 4759/4885

“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.