SCHEMBL6793409

SCHEMBL6793409

CCC(C)(C(=O)O)c1ccc(C(=O)C2CC2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.47
KMT2A Q03164 6/20 0.47
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
SRD5A2 P31213 1/20 0.41
CYP1A2 P05177 1/20 0.41
LMNA P02545 1/20 0.40
TP53 P04637 1/20 0.40
MAPT P10636 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
KDM2B Q8NHM5 1/20 0.40
CYP2D6 P10635 1/20 0.40
KCNH2 Q12809 1/20 0.39
HTR2A P28223 1/20 0.38
HTR2C P28335 1/20 0.38
HTR2B P41595 1/20 0.38
HSD11B1 P28845 1/20 0.38
HRH2 P25021 1/20 0.37
HRH1 P35367 1/20 0.37
MGLL Q99685 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
SCHEMBL2763480 0.83 MEN1 (0.45) MEN1KMT2ANPC1RAB9ASRD5A2
SCHEMBL2762846 0.80 MEN1 (0.51) MEN1KMT2ANPC1RAB9ASRD5A2
SCHEMBL1502290 0.80 MEN1 (0.51) MEN1KMT2ANPC1RAB9ASRD5A2
Methylene Chloride SCHEMBL27848258 0.78 MEN1 (0.47) MEN1KMT2ANPC1RAB9ASRD5A2
SCHEMBL11057658 0.78 MEN1 (0.63) MEN1KMT2ANPC1RAB9ASRD5A2
SCHEMBL3674393 0.78 RAB9A (0.51) MEN1KMT2ANPC1RAB9ASRD5A2
SCHEMBL2763264 0.77 MEN1 (0.43) MEN1KMT2ANPC1RAB9ASRD5A2
SCHEMBL8494650 0.76 SMN1; SMN2 (0.47) MEN1KMT2ANPC1RAB9ASRD5A2
SCHEMBL27934590 0.76 ALDH1A1 (0.49) MEN1KMT2ANPC1RAB9ASRD5A2
SCHEMBL1502389 0.76 NPC1 (0.50) MEN1KMT2ANPC1RAB9ASRD5A2

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-6777555-B2 3-(OPTIONALLY HYDROXYL)-4-(CYCLOPROPYLCARBONYL)-CUMENE INTERMEDIATE MERRELL PHARMACEUTICALS, INC. 2004-08-17 US disclosed
US-20030220496-A1 Novel intermediates useful for the preparation of antihistaminic piperidine derivatives MERRELL PHARMACEUTICALS, INC. 2003-11-27 US disclosed
US-20020077482-A1 Novel intermediates useful for the preparation of antihistaminic piperidine derivatives MERRELL DOW PHARMACEUTICALS INC. 2002-06-20 US disclosed
US-6147216-A Intermediates useful for the preparation of antihistaminic piperidine derivatives MERRELL PHARMACEUTICALS INC. (US) 2000-11-14 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-20030220496-A1 Novel intermediates useful for the preparation of antihistaminic piperidine derivatives HRH1, HRH3, HRH4 MEN1 2722/4885KMT2A 1588/4885NPC1 2412/4885
US-20020077482-A1 Novel intermediates useful for the preparation of antihistaminic piperidine derivatives HRH1, HRH3, HRH4 MEN1 2671/4885KMT2A 1998/4885NPC1 2113/4885

“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.