SCHEMBL228668

SCHEMBL228668

COc1ccc(C(C)(C)Cc2ccc(OC)cc2Oc2ccc(C=O)cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.47
CYP2A6 P11509 1/20 0.47
TTR P02766 1/20 0.40
CYP1A2 P05177 2/20 0.40
LMNA P02545 2/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
APLNR P35414 1/20 0.38
PTGER4 P35408 1/20 0.37
CYP1A1 P04798 1/20 0.37
NFE2L2 Q16236 1/20 0.37
CYP1B1 Q16678 1/20 0.37
RAB9A P51151 3/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
SLC6A4 P31645 3/20 0.36
HTR2A P28223 2/20 0.36
KCNH2 Q12809 2/20 0.36
HDAC3 O15379 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC2 Q92769 1/20 0.35

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
SCHEMBL224658 0.83 LTA4H (0.47) APLNRRAB9AL3MBTL1SLC6A4HTR2A
SCHEMBL226655 0.80 ALDH1A1 (0.54) ALDH1A1CYP2A6TTRCYP1A2LMNA
SCHEMBL230289 0.78 ALDH1A1 (0.51) ALDH1A1CYP2A6TTRCYP1A2LMNA
SCHEMBL17508149 0.73 TTR (0.69) ALDH1A1CYP2A6TTRCYP1A2LMNA
SCHEMBL1999874 0.73 PSMB1 (0.55) KDM4E
SCHEMBL8544104 0.72 ALDH1A1 (0.45) ALDH1A1CYP2A6TTRLMNAPTGER4
SCHEMBL18854904 0.71 ALDH1A1 (0.73) ALDH1A1CYP2A6TTRCYP1A2LMNA
Anisaldehyde SCHEMBL29064107 0.71 ALDH1A1 (0.73) ALDH1A1CYP2A6CYP1A2LMNAPTGER4
SCHEMBL229015 0.71 POLB (0.49) ALDH1A1RAB9AL3MBTL1MAPTNPC1
SCHEMBL527049 0.71 ALDH1A1 (0.86) ALDH1A1CYP2A6TTRCYP1A2LMNA

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
EP-1577288-B1 Selective estrogen receptor modulators EISAI R&D MAN CO LTD (JP) 2014-07-23 EP disclosed
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-20090325930-A1 SELECTIVE ESTROGEN RECEPTOR MODULATOR RADIUS HEALTH, INC. 2009-12-31 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
EP-1577288-A1 SELECTIVE ESTROGEN RECEPTOR MODULATORS Eisai Co., Ltd. (JP) 2005-09-21 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 (3 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-20090325930-A1 SELECTIVE ESTROGEN RECEPTOR MODULATOR ESR1, GPER1, ESR2 ALDH1A1 1111/4885CYP2A6 589/4885TTR 4707/4885
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 2275/4885CYP2A6 1276/4885TTR 2789/4885
US-20120004315-A1 Selective Estrogen Receptor Modulator ESR1, GPER1, ESR2 ALDH1A1 1214/4885CYP2A6 498/4885TTR 4633/4885

“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.