SCHEMBL2548854

SCHEMBL2548854

CC(C)C[C@H](C(=O)N1CC=C(c2ccccc2)CC1)[C@@H]1OC(C)(C)OC1=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.48
CRHBP P24387 1/20 0.48
CRHR2 Q13324 1/20 0.48
NPC1 O15118 2/20 0.48
CCR1 P32246 2/20 0.48
TSHR P16473 2/20 0.46
KCNH2 Q12809 1/20 0.43
HRH3 Q9Y5N1 1/20 0.43
ALDH1A1 P00352 2/20 0.42
MEN1 O00255 1/20 0.42
ALOX15 P16050 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
NAMPT P43490 3/20 0.41
ADAM10 O14672 1/20 0.40
ERBB2 P04626 1/20 0.40
MMP2 P08253 1/20 0.40
POLB P06746 1/20 0.40
TDP1 Q9NUW8 1/20 0.39
CNR1 P21554 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
SCHEMBL2248005 1.00 KMT2A (0.48) KMT2ACRHBPCRHR2NPC1CCR1
SCHEMBL2548375 0.91 CCR1 (0.52) KMT2ACRHBPCRHR2NPC1CCR1
SCHEMBL2247048 0.91 CCR1 (0.52) KMT2ACRHBPCRHR2NPC1CCR1
SCHEMBL2545653 0.91 MAPK1 (0.44) KMT2ACRHBPCRHR2NPC1CCR1
SCHEMBL2249278 0.91 MAPK1 (0.44) KMT2ACRHBPCRHR2NPC1CCR1
SCHEMBL2253954 0.76 NPC1 (0.50) NPC1RAB9A
SCHEMBL2551954 0.76 HRH3 (0.40) CCR1HRH3GAA
SCHEMBL2246879 0.76 HRH3 (0.40) CCR1HRH3GAA
SCHEMBL2244368 0.75 KMT2A (0.49) KMT2ATSHRALDH1A1MEN1ALOX15
SCHEMBL2250905 0.75 KMT2A (0.49) KMT2ATSHRALDH1A1MEN1ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110263628-A1 N-HYDROXYAMIDE DERIVATIVES AND USE THEREOF APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2011-10-27 US claimed

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-20110263628-A1 N-HYDROXYAMIDE DERIVATIVES AND USE THEREOF HNMT, HCAR2, HPGD KMT2A 1561/4885CRHBP 2908/4885CRHR2 2776/4885

“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.