SCHEMBL21169244

SCHEMBL21169244

CC(=O)CCCCCCc1ccc(C#N)cc1

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.57
HSD17B10 Q99714 1/20 0.57
FAAH O00519 2/20 0.46
CYP2A6 P11509 1/20 0.44
MAPT P10636 2/20 0.43
RXFP1 Q9HBX9 1/20 0.43
FFAR1 O14842 3/20 0.42
MMP12 P39900 1/20 0.42
MMP13 P45452 1/20 0.42
ALDH1A1 P00352 2/20 0.42
LOXL2 Q9Y4K0 1/20 0.42
HDAC1 Q13547 1/20 0.41
SAE1 Q9UBE0 1/20 0.41
UBA2 Q9UBT2 1/20 0.41
HTT P42858 1/20 0.41
KCNJ1 P48048 1/20 0.41
KCNH2 Q12809 1/20 0.41
CTBP2 P56545 1/20 0.41

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
SCHEMBL5831140 0.93 HSD17B10 (0.51) TSHRHSD17B10CYP2A6MAPTFFAR1
SCHEMBL1507376 0.86 ALDH1A1 (0.57) TSHRHSD17B10CYP2A6MAPTFFAR1
SCHEMBL10923539 0.85 TSHR (0.54) TSHRHSD17B10FAAHMAPTRXFP1
SCHEMBL10514421 0.85 MAPT (0.62) TSHRHSD17B10FAAHMAPTRXFP1
SCHEMBL7432015 0.85 MAPT (0.62) TSHRHSD17B10FAAHMAPTRXFP1
SCHEMBL7365013 0.83 FFAR1 (0.60) TSHRHSD17B10FAAHMAPTRXFP1
SCHEMBL7433869 0.83 TSHR (0.53) TSHRHSD17B10FAAHMAPTLOXL2
SCHEMBL16582531 0.82 TSHR (0.71) TSHRHSD17B10CYP2A6MMP12MMP13
SCHEMBL16582463 0.82 TSHR (0.71) TSHRHSD17B10CYP2A6MMP12MMP13
SCHEMBL10569117 0.82 TSHR (0.71) TSHRHSD17B10CYP2A6MMP12MMP13

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10870657-B2 Compounds for the treatment of cancer and inflammatory disease SHY Therapeutics LLC (US) 2020-12-22 US disclosed
US-20190218229-A1 COMPOUNDS FOR THE TREATMENT OF CANCER AND INFLAMMTORY DISEASE SHY Therapeutics LLC 2019-07-18 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 (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-20190218229-A1 COMPOUNDS FOR THE TREATMENT OF CANCER AND INFLAMMTORY DISEASE MAPK1, MAPK6, MAP3K1 TSHR 4428/4885HSD17B10 2117/4885FAAH 2916/4885
US-10870657-B2 Compounds for the treatment of cancer and inflammatory disease MAPK6, MAP3K6, MAPK4 TSHR 4461/4885HSD17B10 2132/4885FAAH 3899/4885

“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.