SCHEMBL9847857

SCHEMBL9847857

CCC(=O)CCCC(=O)OC(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.39
EPHX2 P34913 1/20 0.37
TDP1 Q9NUW8 2/20 0.36
ALDH1A1 P00352 1/20 0.34
HDAC8 Q9BY41 2/20 0.33
HDAC1 Q13547 2/20 0.33
HDAC2 Q92769 2/20 0.33
HDAC6 Q9UBN7 2/20 0.33
HDAC3 O15379 1/20 0.33
DGKA P23743 1/20 0.32
CYP1A2 P05177 1/20 0.32
STING1 Q86WV6 1/20 0.32
CTSK P43235 1/20 0.31
CYP2D6 P10635 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA7 P43166 1/20 0.31
LMNA P02545 2/20 0.31
DGAT1 O75907 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
SCHEMBL9847789 0.87 TDP1 (0.39) TSHREPHX2TDP1ALDH1A1HDAC8
SCHEMBL1639757 0.87 TSHR (0.50) TSHREPHX2TDP1HDAC8HDAC1
SCHEMBL2394511 0.85 TSHR (0.44) TSHREPHX2TDP1ALDH1A1HDAC8
Hydrochloric Acid SCHEMBL7239543 0.84 TSHR (0.48) TSHREPHX2TDP1HDAC8HDAC1
SCHEMBL9847901 0.84 TSHR (0.37) TSHRTDP1ALDH1A1DGKACYP1A2
SCHEMBL134923 0.82 EPHX2 (0.46) TSHREPHX2TDP1ALDH1A1HDAC8
SCHEMBL2394516 0.82 ALDH1A1 (0.48) TSHREPHX2ALDH1A1DGKACTSK
SCHEMBL1003368 0.80 CES1 (0.46) TSHREPHX2ALDH1A1DGKACTSK
SCHEMBL25133062 0.80 MAPT (0.53) TSHRTDP1ALDH1A1DGKALMNA
SCHEMBL28037931 0.80 MAPT (0.44) TSHREPHX2ALDH1A1HDAC8HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240239787-A1 COMPOUNDS FOR USE IN THE TREATMENT OF CANCER NANYANG TECHNOLOGICAL UNIVERSITY (SG) 2024-07-18 US disclosed
US-7342014-B2 Diamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2008-03-11 US disclosed
EP-0457103-A1 Mixtures of polyamides with aromatic (co)poly(ester)-carbonates based on tertiary alkyl ester groups containing bisphenols BAYER AG (DE) 1991-11-21 EP disclosed
EP-0457102-A2 Bisphenols with a tertiary alkyle ester function, their process of preparation and their use BAYER AG (DE) 1991-11-21 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 (1 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-20240239787-A1 COMPOUNDS FOR USE IN THE TREATMENT OF CANCER BRIX1, TP53, XPOT TSHR 2641/4885EPHX2 3230/4885TDP1 3480/4885

“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.