SCHEMBL12768993

SCHEMBL12768993

CC(C)(C)OCCC(C)(C)OCC(=O)O

nearest known ligand 0.32

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.32
TSHR P16473 1/20 0.31
CTH P32929 1/20 0.31
CBS P35520 1/20 0.31
THPO P40225 1/20 0.31
FFAR1 O14842 1/20 0.30
CPT2 P23786 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
THRB P10828 1/20 0.30
HMGCR P04035 1/20 0.30
CHRM1 P11229 1/20 0.30
TBXA2R P21731 1/20 0.30
ADRA1A P35348 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
SCHEMBL18906646 0.84 ALDH1A1 (0.35) SMN1; SMN2
SCHEMBL10301446 0.84 HMGCR (0.37) SMN1; SMN2TSHRFFAR1CPT2TDP1
SCHEMBL19392017 0.84 CYP2D6 (0.31) SMN1; SMN2TSHR
SCHEMBL18490901 0.84 SMN1; SMN2 (0.30) SMN1; SMN2
SCHEMBL24813555 0.83 ALDH1A1 (0.38) SMN1; SMN2TSHRCTHCBSTHPO
SCHEMBL12123157 0.83 CES2 (0.31)
SCHEMBL25855715 0.82 DGAT1 (0.32)
SCHEMBL12519879 0.82
SCHEMBL25522574 0.82
SCHEMBL25130206 0.82

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-20230000994-A1 COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF RAPIDLY ACCELERATED FIBROSARCOMA POLYPEPTIDES YALE UNIVERSITY 2023-01-05 US disclosed
US-11173211-B2 Compounds and methods for the targeted degradation of rapidly accelerated Fibrosarcoma polypeptides ARVINAS OPERATIONS, INC. (US) 2021-11-16 US disclosed
US-20210130687-A1 LUMINESCENT CRYSTALS AND MANUFACTURING THEREOF AVANTAMA AG (CH) 2021-05-06 US disclosed
US-10889756-B2 Luminescent crystals and manufacturing thereof AVANTAMA AG (CH) 2021-01-12 US disclosed
US-20200129627-A1 COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF RAPIDLY ACCELERATED FIBROSARCOMA POLYPEPTIDES ARVINAS OPERATIONS, INC. 2020-04-30 US disclosed
US-9586985-B2 Organic compounds as proantigens for natural killer T cells VICTORIA LINK LIMITED (NZ) 2017-03-07 US disclosed
US-20110098273-A1 Oligomer-Calcium Channel Blocker Conjugates NEKTAR THERAPEUTICS (US) 2011-04-28 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-20110098273-A1 Oligomer-Calcium Channel Blocker Conjugates ORAI1, CACNB2, CACNA1B SMN1; SMN2 2407/4885TSHR 3687/4885CTH 483/4885
US-20200129627-A1 COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF RAPIDLY ACCELERATED FIBROSARCOMA POLYPEPTIDES CRBN, ARAF, VHL SMN1; SMN2 2113/4885TSHR 2304/4885CTH 1639/4885
US-10889756-B2 Luminescent crystals and manufacturing thereof C1QBP, LAS1L, C1S SMN1; SMN2 3890/4885TSHR 4046/4885CTH 4229/4885
US-11173211-B2 Compounds and methods for the targeted degradation of rapidly accelerated Fibrosarcoma polypeptides CRBN, ARAF, VHL SMN1; SMN2 2113/4885TSHR 2304/4885CTH 1639/4885
US-20230000994-A1 COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF RAPIDLY ACCELERATED FIBROSARCOMA POLYPEPTIDES CRBN, ARAF, VHL SMN1; SMN2 2113/4885TSHR 2304/4885CTH 1639/4885

“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.