SCHEMBL9101778

SCHEMBL9101778

CCCC(=O)c1cc[nH]n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B3 P37058 1/20 0.41
GABRA1 P14867 2/20 0.41
GABRG2 P18507 2/20 0.41
GABRB3 P28472 2/20 0.41
GABRA5 P31644 2/20 0.41
GABRA3 P34903 2/20 0.41
GABRA2 P47869 2/20 0.41
GABRP O00591 1/20 0.41
GABRD O14764 1/20 0.41
GABRB1 P18505 1/20 0.41
GABRB2 P47870 1/20 0.41
GABRA4 P48169 1/20 0.41
GABRE P78334 1/20 0.41
GABRA6 Q16445 1/20 0.41
GABRG1 Q8N1C3 1/20 0.41
GABRG3 Q99928 1/20 0.41
GABRQ Q9UN88 1/20 0.41
HPGD P15428 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL12094843 0.84
SCHEMBL9823399 0.82 L3MBTL1 (0.41) HSD17B3L3MBTL1TDP1CES1
Butyric Acid SCHEMBL2453145 0.78 FFAR3 (0.42) L3MBTL1HCAR2CES2CES1
SCHEMBL19774130 0.77
SCHEMBL5162827 0.75 NPC1 (0.39) HPGDSMN1; SMN2ALDH1A1TSHRHSD17B10
SCHEMBL5160608 0.75 RAB9A (0.39) HPGDSMN1; SMN2L3MBTL1ALDH1A1TSHR
SCHEMBL5160836 0.74 KMT2A (0.35) SMN1; SMN2L3MBTL1ALDH1A1RECQL
SCHEMBL20488640 0.74 ALDH1A1 (0.50) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL10839700 0.74 MEN1 (0.35) ALDH1A1
SCHEMBL5285523 0.73 ALDH1A1 (0.47) HPGDSMN1; SMN2L3MBTL1ALDH1A1ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230159558-A1 SPIROTRICYCLE RIPK1 INHIBITORS AND METHODS OF USES THEREOF MERCK SHARP & DOHME LLC (US) 2023-05-25 US disclosed
US-5508202-A MIXING SAMPLE AND FIBRIN PRECIPITATION INHIBITOR, ADDING THROMBIN SOLUTION, DETERMINING FIBRIN COAGULATION TIME IN PRESENCE OF CALCIUM ION, CAMPARING COAGULATION TIME WITH NORMAL COAGULATION TIME NIPPON SHOJI KAISHA, LTD. (JP) 1996-04-16 US disclosed
EP-0632270-A1 METHOD OF ASSAYING ACTIVITY OF BLOOD COAGULATION FACTOR XIII AND REAGENT KIT THEREFOR NIPPON SHOJI KABUSHIKI KAISHA (JP) 1995-01-04 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-20230159558-A1 SPIROTRICYCLE RIPK1 INHIBITORS AND METHODS OF USES THEREOF RIPK1, RIPK3, RIPK4 HSD17B3 1093/4885GABRA1 4773/4885GABRG2 4839/4885

“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.