SCHEMBL31714994

SCHEMBL31714994

CCOC(=O)CN1CCC/C1=N/C#N

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 2/20 0.57
▸ ALDH1A1 P00352 5/20 0.43
▸ MAPT P10636 2/20 0.43
▸ HPGD P15428 2/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ TDP1 Q9NUW8 1/20 0.40
▸ LMNA P02545 2/20 0.37
▸ KMT2A Q03164 1/20 0.36
▸ GSK3B P49841 2/20 0.36
▸ GSK3A P49840 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.35
▸ RXFP1 Q9HBX9 1/20 0.35
▸ TP53 P04637 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ ELANE P08246 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ PRKCA P17252 1/20 0.33
▸ ALOX15 P16050 1/20 0.33
▸ MAPK1 P28482 1/20 0.33

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
SCHEMBL3735853 0.96 TSHR (0.63) TSHRALDH1A1MAPTHPGDSMN1; SMN2
SCHEMBL13077554 0.96 TSHR (0.63) TSHRALDH1A1MAPTHPGDSMN1; SMN2
SCHEMBL3735855 0.96 TSHR (0.63) TSHRALDH1A1MAPTHPGDSMN1; SMN2
SCHEMBL31714667 0.80 TSHR (0.39) TSHRALDH1A1MAPTTDP1LMNA
SCHEMBL10573552 0.77 KMT2A (0.36) TSHRALDH1A1MAPTHPGDSMN1; SMN2
SCHEMBL13041020 0.77 TSHR (0.71) TSHRALDH1A1MAPTHPGDSMN1; SMN2
SCHEMBL8519307 0.75 TSHR (0.53) TSHRALDH1A1MAPTSMN1; SMN2KMT2A
SCHEMBL668453 0.74 TSHR (0.56) TSHRALDH1A1MAPTLMNAKMT2A
SCHEMBL8300576 0.73 INMT (0.56) ALDH1A1MAPTHPGDSMN1; SMN2LMNA
SCHEMBL6121644 0.71 TSHR (0.59) TSHRALDH1A1MAPTSMN1; SMN2KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250333424-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. 2025-10-30 — — 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 (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-20250333424-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, IRF3 TSHR 4788/4885ALDH1A1 3515/4885MAPT 2776/4885

“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.

Send feedback