SCHEMBL4817434

SCHEMBL4817434

O=C1CCc2cc(CCO)ccc21

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 1/20 0.50
CASP7 P55210 1/20 0.50
HSD17B10 Q99714 1/20 0.50
HSD17B1 P14061 3/20 0.49
MAOB P27338 2/20 0.43
MAOA P21397 1/20 0.43
PRKCI P41743 1/20 0.43
GRM5 P41594 1/20 0.42
AKR1B1 P15121 2/20 0.42
PBRM1 Q86U86 1/20 0.42
ACACB O00763 1/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
ALOX5 P09917 1/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
BACE1 P56817 1/20 0.41
KCNJ1 P48048 1/20 0.41
KCNH2 Q12809 1/20 0.41
CYP1A2 P05177 1/20 0.40

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
SCHEMBL86398 0.90 CASP1 (0.47) CASP1CASP7HSD17B10HSD17B1MAOB
SCHEMBL4812956 0.86 PBRM1 (0.55) CASP1CASP7HSD17B10HSD17B1MAOB
SCHEMBL4805957 0.85 CASP1 (0.53) CASP1CASP7HSD17B10HSD17B1MAOB
SCHEMBL6227273 0.81 AKR1B1 (0.49) CASP1CASP7HSD17B10HSD17B1GRM5
SCHEMBL80040 0.79 CASP1 (0.47) CASP1CASP7HSD17B10HSD17B1MAOB
SCHEMBL3238273 0.79 CASP1 (0.47) CASP1CASP7HSD17B10HSD17B1MAOB
SCHEMBL1807897 0.79 AKR1B1 (0.50) CASP1CASP7HSD17B10HSD17B1MAOB
SCHEMBL27717447 0.79 CASP1 (0.47) CASP1CASP7HSD17B10HSD17B1MAOB
SCHEMBL8458964 0.79 SRD5A1 (0.49) KDM4EALDH1A1ALOX5GAAMAPT
Methyl Alcohol SCHEMBL27943559 0.79 HSD17B1 (0.56) CASP1CASP7HSD17B10HSD17B1MAOB

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
EP-1740579-B1 TRICYCLIC PYRAZOLE KINASE INHIBITORS ABBVIE INC (US) 2015-08-19 EP disclosed
US-7468371-B2 Tricyclic pyrazole kinase inhibitors ABBOTT LABORATORIES INC. (US) 2008-12-23 US disclosed
US-7320986-B2 Fused tri and tetra-cyclic pyrazole kinase inhibitors ABBOTT LABORTORIES (US) 2008-01-22 US disclosed
US-20060014816-A1 Tricyclic pyrazole kinase inhibitors ABBVIE INC. 2006-01-19 US disclosed
EP-1603885-A1 FUSED TRI AND TETRA-CYCLIC PYRAZOLE KINASE INHIBITORS Abbott Laboratories (US) 2005-12-14 EP disclosed
US-20040259904-A1 Fused tri and tetra-cyclic pyrazole kinase inhibitors ABBVIE INC. 2004-12-23 US disclosed
WO-2004080973-A1 FUSED TRI AND TETRA-CYCLIC PYRAZOLE KINASE INHIBITORS ABBOTT LABORATORIES (US) 2004-09-23 WO 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-20060014816-A1 Tricyclic pyrazole kinase inhibitors PRKDC, PRKACA, PIK3C3 CASP1 2298/4885CASP7 1716/4885HSD17B10 3557/4885
US-20040259904-A1 Fused tri and tetra-cyclic pyrazole kinase inhibitors TK1, MAP3K19, MAP3K20 CASP1 1504/4885CASP7 1844/4885HSD17B10 3236/4885

“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.