SCHEMBL14830646

SCHEMBL14830646

CC(C)C(Oc1ccccc1)Oc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA4 P22748 1/20 0.43
KDM4E B2RXH2 1/20 0.42
LMNA P02545 2/20 0.41
MTNR1A P48039 1/20 0.41
MTNR1B P49286 1/20 0.41
LTA4H P09960 2/20 0.41
TSHR P16473 1/20 0.41
GAA P10253 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
PKM P14618 1/20 0.41
CYP2C19 P33261 1/20 0.41
CHRNB4 P30926 2/20 0.40
CHRNA3 P32297 2/20 0.40
MAOA P21397 2/20 0.40
ADRA2A P08913 1/20 0.40
ADRA2B P18089 1/20 0.40
ADRA2C P18825 1/20 0.40
MAOB P27338 1/20 0.40
NISCH Q9Y2I1 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
Bromide SCHEMBL29193758 0.84 MTNR1A (0.40) CA4KDM4ELMNAMTNR1AMTNR1B
SCHEMBL5080655 0.83 L3MBTL1 (0.43) CA4KDM4ELMNAMTNR1AMTNR1B
Bromide SCHEMBL29193908 0.81 MTNR1A (0.38) CA4KDM4ELMNAMTNR1AMTNR1B
SCHEMBL16683081 0.81 SLC7A5 (0.54) TSHRGAAKMT2AMEN1ALDH1A1
SCHEMBL6898647 0.80 LMNA (0.48) CA4KDM4ELMNAMTNR1AMTNR1B
SCHEMBL941113 0.79 CA4 (0.43) CA4KDM4ELMNAMTNR1AMTNR1B
SCHEMBL25882988 0.79 CA4 (0.43) CA4KDM4ELMNAMTNR1AMTNR1B
SCHEMBL11156032 0.79 CA4 (0.43) CA4KDM4ELMNAMTNR1AMTNR1B
SCHEMBL1453272 0.78 CA4 (0.48) CA4KDM4ELMNAMTNR1AMTNR1B
SCHEMBL12394 0.78 KMT2A (0.54) CA4KDM4ELMNAMTNR1AMTNR1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230183164-A1 Synthesis of Vinyl Cyclobutyl Intermediates AMGEN INC. (US) 2023-06-15 US disclosed
US-20230183164-A1 Synthesis of Vinyl Cyclobutyl Intermediates AMGEN INC. (US) 2023-06-15 US disclosed
US-20230174496-A1 Synthesis of Vinylic Protected Alcohol Intermediates AMGEN INC. (US) 2023-06-08 US disclosed
US-20230174496-A1 Synthesis of Vinylic Protected Alcohol Intermediates AMGEN INC. (US) 2023-06-08 US disclosed
WO-2021226009-A1 SYNTHESIS OF VINYL CYCLOBUTYL INTERMEDIATES AMGEN INC. (US) 2021-11-11 WO disclosed
WO-2021225823-A1 SYNTHESIS OF VINYLIC PROTECTED ALCOHOL INTERMEDIATES AMGEN INC. (US) 2021-11-11 WO disclosed
WO-2013047891-A2 WASHING METHOD, ADDITION POLYMERIZATION METHOD, PREPOLYMERIZATION METHOD, PREPOLYMERIZED CATALYTIC COMPONENT FOR ADDITION POLYMERIZATION, AND METHOD FOR PRODUCING ADDITION POLYMER USING THE SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-04-04 WO 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-20230174496-A1 Synthesis of Vinylic Protected Alcohol Intermediates MCL1, BCL2A1, BAK1 CA4 4532/4885KDM4E 1843/4885LMNA 182/4885
US-20230183164-A1 Synthesis of Vinyl Cyclobutyl Intermediates MCL1, BCL2A1, BAK1 CA4 4065/4885KDM4E 3197/4885LMNA 451/4885

“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.