SCHEMBL223575

SCHEMBL223575

CC(C)(C)N(C(=O)O)C(C)(C)COc1ccc(C=O)cc1F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 12/20 0.42
POLB P06746 2/20 0.42
HPGD P15428 2/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
FDPS P14324 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
CYP2C9 P11712 2/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
AOX1 Q06278 1/20 0.35
CYP1A2 P05177 1/20 0.34
HSP90AA1 P07900 1/20 0.34
MAPT P10636 1/20 0.34
CYP2C19 P33261 1/20 0.34
AAK1 Q2M2I8 1/20 0.34
TSHR P16473 1/20 0.34
DGAT1 O75907 1/20 0.33
PPARG P37231 1/20 0.33

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
SCHEMBL228388 0.83 ALDH1A1 (0.48) ALDH1A1POLBHPGDMEN1KMT2A
SCHEMBL227612 0.80 AR (0.47)
SCHEMBL226788 0.79 ALDH1A1 (0.41) ALDH1A1HPGDMEN1KMT2ASMN1; SMN2
SCHEMBL1996589 0.79 POLB (0.46) ALDH1A1POLBHPGDMEN1KMT2A
SCHEMBL14033966 0.74 ALDH1A1 (0.49) ALDH1A1POLBHPGDMEN1KMT2A
SCHEMBL2741680 0.73 AAK1 (0.51) ALDH1A1POLBHPGDMEN1KMT2A
SCHEMBL17967830 0.73 PTGDR2 (0.51) ALDH1A1POLBHPGDMEN1KMT2A
SCHEMBL27034857 0.72 ALDH1A1 (0.40) ALDH1A1POLBHPGDMEN1KMT2A
SCHEMBL2585951 0.71 ALDH1A1 (0.60) ALDH1A1POLBHPGDMEN1KMT2A
SCHEMBL22123330 0.71 ALDH1A1 (0.51) ALDH1A1POLBHPGDMEN1KMT2A

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 2275/4885POLB 2092/4885HPGD 2727/4885
US-20120004315-A1 Selective Estrogen Receptor Modulator ESR1, GPER1, ESR2 ALDH1A1 1214/4885POLB 3007/4885HPGD 2415/4885

“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.