SCHEMBL2175172

SCHEMBL2175172

CC(C)(C)c1cc(Cl)ccc1OCCCCNC(=O)c1ccc(O)c(CN2CCOCC2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.48
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
LMNA P02545 5/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
ALDH1A1 P00352 3/20 0.45
KMT2A Q03164 3/20 0.45
KDM4E B2RXH2 3/20 0.45
HIF1A Q16665 1/20 0.45
MEN1 O00255 2/20 0.44
MAPT P10636 2/20 0.44
F10 P00742 1/20 0.43
HTR1A P08908 1/20 0.43
MAOA P21397 1/20 0.43
MAOB P27338 1/20 0.43
KCNH2 Q12809 1/20 0.43
CD274 Q9NZQ7 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
MAPK1 P28482 1/20 0.43
HTT P42858 1/20 0.43

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
SCHEMBL12409195 0.87 PTGER1 (0.43) CYP2D6CYP2C9LMNASMN1; SMN2ALDH1A1
SCHEMBL12409196 0.80 KDM4E (0.53) RAB9ALMNASMN1; SMN2ALDH1A1KMT2A
SCHEMBL12409199 0.79 KDM4E (0.53) LMNASMN1; SMN2ALDH1A1KMT2AKDM4E
SCHEMBL2173939 0.76 KDM4E (0.61) LMNASMN1; SMN2ALDH1A1KMT2AKDM4E
SCHEMBL12409202 0.74 KDM4E (0.55) LMNASMN1; SMN2ALDH1A1KMT2AKDM4E
SCHEMBL12305581 0.70 SMN1; SMN2 (0.64) CYP2D6CYP2C9LMNASMN1; SMN2ALDH1A1
SCHEMBL12409191 0.69 KDM4E (0.62) LMNASMN1; SMN2ALDH1A1KMT2AKDM4E
SCHEMBL27786410 0.69 CYP2A13 (0.67) RAB9ACYP2D6CYP2C9LMNASMN1; SMN2
SCHEMBL1421327 0.69 SMN1; SMN2 (0.55) CYP2C9LMNASMN1; SMN2ALDH1A1KMT2A
SCHEMBL1421316 0.68 CTSB (0.59) CYP2D6CYP2C9ALDH1A1KDM4EHIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7973079-B2 Methods and compounds for treating retinol-related diseases REVISION THERAPEUTICS, INC. (US) 2011-07-05 US disclosed
US-7973079-B2 Methods and compounds for treating retinol-related diseases REVISION THERAPEUTICS, INC. (US) 2011-07-05 US disclosed
US-7973079-B2 Methods and compounds for treating retinol-related diseases REVISION THERAPEUTICS, INC. (US) 2011-07-05 US disclosed
EP-2205234-A2 METHODS AND COMPOUNDS FOR TREATING RETINOL-RELATED DISEASES Sirion Therapeutics, Inc. (US) 2010-07-14 EP disclosed
US-20090088435-A1 METHODS AND COMPOUNDS FOR TREATING RETINOL-RELATED DISEASES SIRION THERAPEUTICS, INC. (US) 2009-04-02 US disclosed
US-20090088435-A1 METHODS AND COMPOUNDS FOR TREATING RETINOL-RELATED DISEASES SIRION THERAPEUTICS, INC. (US) 2009-04-02 US disclosed
US-20090088435-A1 METHODS AND COMPOUNDS FOR TREATING RETINOL-RELATED DISEASES SIRION THERAPEUTICS, INC. (US) 2009-04-02 US disclosed
WO-2009042444-A2 METHODS AND COMPOUNDS FOR TREATING RETINOL-RELATED DISEASES SIRION THERAPEUTICS, INC. (US) 2009-04-02 WO disclosed
WO-2009042444-A2 METHODS AND COMPOUNDS FOR TREATING RETINOL-RELATED DISEASES SIRION THERAPEUTICS, INC. (US) 2009-04-02 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-20090088435-A1 METHODS AND COMPOUNDS FOR TREATING RETINOL-RELATED DISEASES RBP1, RBP4, ALDH1A2 RAB9A 1468/4885CYP2D6 4378/4885CYP2C9 3770/4885

“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.