SCHEMBL13772574

SCHEMBL13772574

CC(=O)COc1ccc(CCl)cc1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 2/20 0.44
▸ MAOA P21397 1/20 0.44
▸ KDM4E B2RXH2 3/20 0.42
▸ ALDH1A1 P00352 3/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ CA1 P00915 2/20 0.42
▸ CA2 P00918 2/20 0.42
▸ RAB9A P51151 2/20 0.42
▸ HPGD P15428 2/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ POLB P06746 2/20 0.41
▸ MAPT P10636 2/20 0.41
▸ LMNA P02545 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL2955123 0.85 HPGD (0.50) KDM4EALDH1A1SMN1; SMN2RAB9AHPGD
SCHEMBL1628333 0.82 MEN1 (0.51) MAOBKDM4EALDH1A1SMN1; SMN2RAB9A
SCHEMBL4781395 0.82 ALOX15 (0.61) ALDH1A1SMN1; SMN2MAPTHSD17B10
SCHEMBL11530406 0.82 RAB9A (0.56) KDM4EALDH1A1SMN1; SMN2RAB9AHPGD
SCHEMBL25263044 0.81 PTGS2 (0.58) ALDH1A1SMN1; SMN2RAB9ACYP2C9CYP2C19
SCHEMBL18799509 0.81 GPR174 (0.47) MAOBMAOAKDM4EALDH1A1SMN1; SMN2
SCHEMBL14546296 0.81 MEN1 (0.47) RAB9ACYP1A2POLBMAPT
SCHEMBL31488283 0.80 SMN1; SMN2 (0.45) KDM4EALDH1A1SMN1; SMN2CA1CA2
SCHEMBL14491896 0.80 KMT2A (0.50) KDM4EALDH1A1SMN1; SMN2POLBLMNA
SCHEMBL3370944 0.80 PTGS2 (0.56) MAOBMAOAKDM4EALDH1A1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090176764-A1 2-PHENYL-1-[4-(2-AMINOETHOXY)-BENZYL]-INDOLES AS ESTROGENIC AGENTS WYETH (US) 2009-07-09 — — US disclosed
US-7449455-B2 2-phenyl-1-[4-(2-aminoethoxy)-benzyl]-indoles as estrogenic agents WYETH (US) 2008-11-11 — — US disclosed
US-20080021017-A1 2-Phenyl-1-[4-(2-aminoethoxy)-benzyl]-indoles as estrogenic agents WYETH (US) 2008-01-24 — — US disclosed
US-7247624-B2 2-Phenyl-1-[4-(2-aminoethoxy)-benzyl]-indoles as estrogenic agents WYETH (US) 2007-07-24 — — US disclosed
US-20070142361-A1 2-Phenyl-1-[4-(2-aminoethoxy)-benzyl]-indole and estrogen formulations WYETH (US) 2007-06-21 — — US disclosed
US-20070135396-A1 2-Phenyl-1-[4-(2-Aminoethoxy)-Benzyl]-Indole and estrogen formulations WYETH (US) 2007-06-14 — — US disclosed
US-20070135397-A1 2-Phenyl-1-[4-(2-Aminoethoxy)-Benzyl]-Indole and estrogen formulations WYETH (US) 2007-06-14 — — US disclosed
US-20070054895-A1 2-Phenyl-1-[4-(2-aminoethoxy)-benzyl]-indoles as estrogenic agents WYETH (US) 2007-03-08 — — 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 (6 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-20070135397-A1 2-Phenyl-1-[4-(2-Aminoethoxy)-Benzyl]-Indole and estrogen formulations ESR2, ESR1, CYP19A1 MAOB 166/4885MAOA 168/4885KDM4E 174/4885
US-20070135396-A1 2-Phenyl-1-[4-(2-Aminoethoxy)-Benzyl]-Indole and estrogen formulations ESR2, ESR1, CYP19A1 MAOB 166/4885MAOA 168/4885KDM4E 174/4885
US-20070142361-A1 2-Phenyl-1-[4-(2-aminoethoxy)-benzyl]-indole and estrogen formulations ESR1, ESR2, CYP19A1 MAOB 179/4885MAOA 176/4885KDM4E 172/4885
US-20090176764-A1 2-PHENYL-1-[4-(2-AMINOETHOXY)-BENZYL]-INDOLES AS ESTROGENIC AGENTS BRCA1, ESR2, PKD2 MAOB 1015/4885MAOA 1358/4885KDM4E 1288/4885
US-20080021017-A1 2-Phenyl-1-[4-(2-aminoethoxy)-benzyl]-indoles as estrogenic agents BRCA1, PKD2, CYP19A1 MAOB 667/4885MAOA 1037/4885KDM4E 1095/4885
US-20070054895-A1 2-Phenyl-1-[4-(2-aminoethoxy)-benzyl]-indoles as estrogenic agents ESR2, GPER1, ESR1 MAOB 400/4885MAOA 310/4885KDM4E 191/4885

“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.

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