SCHEMBL17401249

SCHEMBL17401249

CC(C)CCOCCOCCOCCOCCC(C)C

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.46
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA9 Q16790 1/20 0.40
TDP1 Q9NUW8 2/20 0.39
LMNA P02545 1/20 0.33
KDM4E B2RXH2 1/20 0.32
HSD17B10 Q99714 1/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
MAPK1 P28482 1/20 0.31
PIK3CD O00329 1/20 0.31
ESR1 P03372 1/20 0.30

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
SCHEMBL9945700 1.00 ALDH1A1 (0.46) ALDH1A1CA12CA1CA2CA9
SCHEMBL9945705 1.00 ALDH1A1 (0.46) ALDH1A1CA12CA1CA2CA9
SCHEMBL9945703 1.00 ALDH1A1 (0.46) ALDH1A1CA12CA1CA2CA9
SCHEMBL17401247 1.00 ALDH1A1 (0.46) ALDH1A1CA12CA1CA2CA9
SCHEMBL8731954 1.00 ALDH1A1 (0.46) ALDH1A1CA12CA1CA2CA9
SCHEMBL17401248 1.00 ALDH1A1 (0.46) ALDH1A1CA12CA1CA2CA9
SCHEMBL42956 0.96 ALDH1A1 (0.48) ALDH1A1CA12CA1CA2CA9
SCHEMBL10882313 0.94 ALDH1A1 (0.42) ALDH1A1CA12CA1CA2CA9
SCHEMBL4323031 0.93 ALDH1A1 (0.46) ALDH1A1CA12CA1CA2CA9
Potassium SCHEMBL2529395 0.93 ALDH1A1 (0.46) ALDH1A1CA12CA1CA2CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240025863-A1 SOS1 PROTEIN DEGRADERS, PHARMACEUTICAL COMPOSITIONS THEREOF, AND THEIR THERAPEUTIC APPLICATIONS BIOTHERYX, INC. 2024-01-25 US disclosed
US-20230158159-A1 CHIMERIC DEGRADERS OF CYCLIN-DEPENDENT KINASE 9 AND USES THEREOF MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2023-05-25 US disclosed
US-20180208590-A1 NOVEL COMPOUNDS HAVING ESTROGEN RECEPTOR ALPHA DEGRADATION ACTIVITY AND USES THEREOF ACCUTAR BIOTECHNOLOGY INC. (US) 2018-07-26 US disclosed
US-9944632-B2 Compounds having estrogen receptor alpha degradation activity and uses thereof ACCUTAR BIOTECHNOLOGY INC. (US) 2018-04-17 US disclosed
US-20180016269-A1 NOVEL COMPOUNDS AND USES THEREOF ACCUTAR BIOTECHNOLOGY INC. (US) 2018-01-18 US disclosed
US-9840479-B2 Polyamine-fatty acid derived lipidoids and uses thereof MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2017-12-12 US disclosed
US-9715040-B2 Optical film and manufacturing method thereof, polarizing plate protective film, polarizing plate and liquid crystal display device FUJIFILM CORPORATION (JP) 2017-07-25 US disclosed
WO-2017091673-A2 BIVALENT BROMODOMAIN INHIBTORS AND USES THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2017-06-01 WO disclosed
US-20160047946-A1 OPTICAL FILM AND MANUFACTURING METHOD THEREOF, POLARIZING PLATE PROTECTIVE FILM, POLARIZING PLATE AND LIQUID CRYSTAL DISPLAY DEVICE FUJIFILM CORPORATION (JP) 2016-02-18 US disclosed
US-20160002178-A1 POLYAMINE-FATTY ACID DERIVED LIPIDOIDS AND USES THEREOF MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2016-01-07 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 (5 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-20180016269-A1 NOVEL COMPOUNDS AND USES THEREOF ESR2, ESRRB, ESRRA ALDH1A1 2070/4885CA12 2268/4885CA1 3713/4885
US-20180208590-A1 NOVEL COMPOUNDS HAVING ESTROGEN RECEPTOR ALPHA DEGRADATION ACTIVITY AND USES THEREOF ESR2, ESRRG, ESR1 ALDH1A1 706/4885CA12 3469/4885CA1 3999/4885
US-20230158159-A1 CHIMERIC DEGRADERS OF CYCLIN-DEPENDENT KINASE 9 AND USES THEREOF CDK9, CDK19, CRBN ALDH1A1 4013/4885CA12 2231/4885CA1 1811/4885
US-20240025863-A1 SOS1 PROTEIN DEGRADERS, PHARMACEUTICAL COMPOSITIONS THEREOF, AND THEIR THERAPEUTIC APPLICATIONS SOS1, SOS2, SOST ALDH1A1 3542/4885CA12 4613/4885CA1 4555/4885
US-20160002178-A1 POLYAMINE-FATTY ACID DERIVED LIPIDOIDS AND USES THEREOF SGMS2, SGMS1, ARG2 ALDH1A1 2532/4885CA12 4831/4885CA1 4799/4885

“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.