SCHEMBL226788

SCHEMBL226788

CC(C)(C)N(C(=O)O)C(C)(C)COc1ccc(C=O)cc1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.41
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
HPGD P15428 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
KMT2A Q03164 3/20 0.39
CYP2A6 P11509 1/20 0.39
PPARA Q07869 4/20 0.37
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
ADRB2 P07550 1/20 0.36
ADRB1 P08588 1/20 0.36
ADRB3 P13945 1/20 0.36
ALDH1A3 P47895 1/20 0.36

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
SCHEMBL5222008 0.83 RAB9A (0.43) MAPTSMN1; SMN2KMT2APPARAMEN1
SCHEMBL18281760 0.82 TDP1 (0.41) ALDH1A1LMNAMAPTHPGDSMN1; SMN2
SCHEMBL18282027 0.82 RXRA (0.41) SMN1; SMN2KMT2AKDM4EMEN1
SCHEMBL227546 0.80 ALDH1A1 (0.46) ALDH1A1MAPTPPARA
SCHEMBL225758 0.80 ALDH1A1 (0.47) ALDH1A1LMNAMAPTHPGDSMN1; SMN2
SCHEMBL223575 0.79 ALDH1A1 (0.42) ALDH1A1MAPTHPGDSMN1; SMN2KMT2A
SCHEMBL244611 0.75 ALDH1A1 (0.49) ALDH1A1LMNAMAPTHPGDSMN1; SMN2
SCHEMBL16901826 0.74 ALDH1A1 (0.52) ALDH1A1LMNAMAPTHPGDSMN1; SMN2
SCHEMBL5357292 0.74 ALDH1A1 (0.52) ALDH1A1LMNAMAPTHPGDSMN1; SMN2
SCHEMBL18045687 0.74 ALDH1A1 (0.52) ALDH1A1LMNAMAPTHPGDSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8399520-B2 Selective estrogen receptor modulator EISAI R&D MANAGEMENT CO., LTD. (JP) 2013-03-19 US disclosed
US-20120004315-A1 Selective Estrogen Receptor Modulator RADIUS HEALTH, INC. 2012-01-05 US disclosed
US-7960412-B2 Selective estrogen receptor modulator EISAI R&D MANAGEMENT CO., LTD. (JP) 2011-06-14 US disclosed
US-7612114-B2 Such as (R)-6-{2-{ethyl[4-(2-ethylaminoethyl)benzyl]amino }-4-methoxyphenyl }-5,6,7,8-tetrahydronaphthalen-2-ol; osteoporosis; breast cancer EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-11-03 US disclosed
US-20060116364-A1 Such as (R)-6-{2-{ethyl[4-(2-ethylaminoethyl)benzyl]amino }-4-methoxyphenyl }-5,6,7,8-tetrahydronaphthalen-2-ol; osteoporosis; breast cancer EISAI CO., LTD. (JP) 2006-06-01 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-20060116364-A1 Such as (R)-6-{2-{ethyl[4-(2-ethylaminoethyl)benzyl]amino }-4-methoxyphenyl }-5,6,7,8-tetrahydronaphthalen-2-ol; osteoporosis; breast cancer BRCA1, BCR, RCC1 ALDH1A1 2275/4885LMNA 1494/4885MAPT 2593/4885
US-20120004315-A1 Selective Estrogen Receptor Modulator ESR1, GPER1, ESR2 ALDH1A1 1214/4885LMNA 2894/4885MAPT 3856/4885

“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.