SCHEMBL7179554

SCHEMBL7179554

CCC(=O)c1cccc(-c2cc(OC)ccc2C(=O)c2ccc(OCc3ccccc3)cc2)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.58
RAB9A P51151 5/20 0.58
ALDH1A1 P00352 3/20 0.58
HTT P42858 3/20 0.58
MAPT P10636 2/20 0.58
GAA P10253 1/20 0.58
NPC1 O15118 4/20 0.51
HPGD P15428 2/20 0.51
MRGPRX4 Q96LA9 2/20 0.48
TP53 P04637 1/20 0.48
PKM P14618 1/20 0.48
NFKB1 P19838 1/20 0.48
NFKB2 Q00653 1/20 0.48
RELA Q04206 1/20 0.48
RXFP1 Q9HBX9 1/20 0.48
LMNA P02545 1/20 0.48
CYP1A2 P05177 1/20 0.48
PGR P06401 1/20 0.48
CYP2D6 P10635 1/20 0.48
SLC6A2 P23975 1/20 0.48

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
SCHEMBL4098564 0.78 HPGD (0.74) SMN1; SMN2RAB9AALDH1A1HTTMAPT
SCHEMBL30739535 0.78 ALDH1A1 (0.68) SMN1; SMN2RAB9AALDH1A1HTTMAPT
SCHEMBL7179544 0.76 RAB9A (0.55) SMN1; SMN2RAB9AALDH1A1HTTMAPT
SCHEMBL28249518 0.75 POLB (0.67) SMN1; SMN2RAB9AALDH1A1HTTMAPT
SCHEMBL102983 0.75 RAB9A (0.83) SMN1; SMN2RAB9AALDH1A1HTTMAPT
SCHEMBL7501801 0.75 HTT (0.69) SMN1; SMN2RAB9AALDH1A1HTTMAPT
SCHEMBL4103033 0.74 POLB (0.56) SMN1; SMN2RAB9AALDH1A1HTTMAPT
SCHEMBL2152475 0.74 MAOB (0.73) SMN1; SMN2RAB9AALDH1A1HTTMAPT
SCHEMBL7178708 0.72 SRD5A2 (0.52) SMN1; SMN2RAB9AALDH1A1HTTMAPT
SCHEMBL21508396 0.72 SMN1; SMN2 (0.75) SMN1; SMN2RAB9AALDH1A1HTTMAPT

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
EP-1055658-B1 Process for cis-1- 2-[4-(6-methoxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl)phenoxy]ethyl pyrrolidine PFIZER PROD INC (US) 2003-03-12 EP disclosed
US-6395911-B1 AND OTHER INTERMEDIATES TO THE OSTEOPOROSIS DRUG (-)CIS-6-PHENYL-5-(4-(2-PYRROLIDIN-1-YL-ETHOXY)-PHENYL)-5,6,7, 8-TETRAHYDRONAPHTHALENE-2-OL PFIZER INC. 2002-05-28 US disclosed
US-20020042524-A1 Process for cis-1{2-[4-(6-methoxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl)phenoxy] ethyl}pyrrolidine CHIU CHARLES K F (US) 2002-04-11 US disclosed
US-6323345-B1 BROMINATING 2-BROMO-5-METHOXY-TOLUENE TO PROVIDE 1-BROMO-2-BROMOMETHYL-4-METHOXYBENZENE; DECARBOXYLATION, REACTING WITH ETHYLENE GLYCOL; REACTING WITH N-BUTYL LITHIUM AND 4-BENZYLOXY BENZONITRILE; HYDROLYSIS, HYDROGENATION PFIZER INC. 2001-11-27 US disclosed
US-6232476-B1 Intermediates in a process for cis-1-{2-[4-(6-methoxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl)phenoxy]ethyl}pyrrolidine PFIZER INC. 2001-05-15 US disclosed
EP-1055658-A2 Process for cis-1- 2-[4-(6-methoxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl)phenoxy]ethyl pyrrolidine Pfizer Products Inc. (US) 2000-11-29 EP 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-20020042524-A1 Process for cis-1{2-[4-(6-methoxy-2-phenyl-1,2,3,4-tetrahydronaphthalen-1-yl)phenoxy] ethyl}pyrrolidine P4HA1, PAH, DNM1 SMN1; SMN2 814/4885RAB9A 1513/4885ALDH1A1 1603/4885

“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.