SCHEMBL5863345

SCHEMBL5863345

CCOC(=O)c1nn(CCO[Si](C)(C)C(C)(C)C)c(CC)c1Sc1cc(Cl)cc(Cl)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.36
MAPT P10636 5/20 0.32
ALOX12 P18054 1/20 0.32
KDM4E B2RXH2 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
ALDH1A1 P00352 1/20 0.32
ALOX5 P09917 1/20 0.31
ELANE P08246 2/20 0.31
CNR2 P34972 1/20 0.31
TP53 P04637 1/20 0.31
POLB P06746 1/20 0.30
TARBP2 Q15633 1/20 0.30
TUBB4A P04350 1/20 0.30
TUBB P07437 1/20 0.30
TUBA3C P0DPH7 1/20 0.30
TUBA1B P68363 1/20 0.30
TUBA4A P68366 1/20 0.30
TUBB4B P68371 1/20 0.30
TUBB3 Q13509 1/20 0.30

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
SCHEMBL5751439 0.84 L3MBTL1 (0.41) L3MBTL1MAPTALOX12KDM4ENPC1
SCHEMBL5802472 0.82
SCHEMBL5753486 0.77
SCHEMBL5752621 0.71 PTGDR2 (0.35)
SCHEMBL5752981 0.71 MARS1 (0.34)
SCHEMBL5750482 0.71 TYMS (0.34) ALDH1A1
SCHEMBL5752960 0.70
SCHEMBL31206724 0.70 ALDH1A1 (0.43) L3MBTL1MAPTNPC1RAB9AALDH1A1
SCHEMBL26926884 0.70 PDE4A (0.33) MAPTALOX12NPC1RAB9AALDH1A1
SCHEMBL25625155 0.69 ALDH1A1 (0.34) KDM4ENPC1RAB9AALDH1A1ELANE

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-7141585-B2 Pyrazole derivatives AGOURON PHARMACEUTICALS, INC. (US) 2006-11-28 US disclosed
US-20040209862-A1 Pyrazole derivatives PFIZER, INC. 2004-10-21 US disclosed
US-6750230-B2 use treating Human Immunodeficiency Virus (HIV) , or genetically related retroviral, infection or a resulting acquired immunodeficiency syndrome (AIDS); 2-[4-(3,5-dichlorobenzyl)-3,5-diethyl-1H-pyrazol-1-yl]ethanol for example; reverse transcriptase inhibitors PFIZER, INC. 2004-06-15 US disclosed
US-20020032184-A1 Pyrazole derivatives PFIZER INC. 2002-03-14 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 (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-20020032184-A1 Pyrazole derivatives POLRMT, TPMT, CYP3A43 L3MBTL1 3119/4885MAPT 788/4885ALOX12 2166/4885
US-20040209862-A1 Pyrazole derivatives POLRMT, TPMT, CYP3A43 L3MBTL1 3119/4885MAPT 788/4885ALOX12 2166/4885

“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.