SCHEMBL12044707

SCHEMBL12044707

CCc1cc2c(s1)CCC(O)C2O

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.41
DRD2 P14416 4/20 0.33
DRD1 P21728 4/20 0.33
HTR1A P08908 1/20 0.33
GAA P10253 2/20 0.33
NPC1 O15118 1/20 0.33
ALDH1A1 P00352 1/20 0.33
GLA P06280 1/20 0.33
HPGD P15428 1/20 0.33
ALOX15 P16050 1/20 0.33
TSHR P16473 1/20 0.33
ALOX12 P18054 1/20 0.33
MAPK1 P28482 1/20 0.33
RAB9A P51151 1/20 0.33
HSD17B10 Q99714 1/20 0.33
POLB P06746 1/20 0.30
MAPT P10636 1/20 0.30
HIF1A Q16665 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
SCHEMBL19981482 0.77 PNMT (0.33) TSHRRAB9A
SCHEMBL11987809 0.77 KCNH2 (0.41) KCNH2DRD2DRD1HTR1AGAA
SCHEMBL12044708 0.70 ALDH1A1 (0.38) KCNH2DRD2DRD1HTR1ANPC1
SCHEMBL16024363 0.68 KCNH2 (0.42) KCNH2DRD2DRD1HTR1A
SCHEMBL18723911 0.67 KCNH2 (0.39) KCNH2GAANPC1ALDH1A1GLA
SCHEMBL18723592 0.67 KCNH2 (0.39) KCNH2GAANPC1ALDH1A1GLA
SCHEMBL12045180 0.67 KCNH2 (0.35) KCNH2DRD2DRD1HTR1AGAA
SCHEMBL18723861 0.65 KCNH2 (0.35) KCNH2
SCHEMBL12644058 0.65 TAAR1 (0.43) KCNH2DRD2HTR1AALDH1A1HPGD
SCHEMBL2040442 0.65 KEAP1 (0.54) KCNH2DRD2DRD1HTR1A

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-20110301145-A1 PYRIDAZINONES, METHOD OF MAKING, AND METHOD OF USE THEREOF Gilead Connecticut INc. (US) 2011-12-08 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-20110301145-A1 PYRIDAZINONES, METHOD OF MAKING, AND METHOD OF USE THEREOF BTK, SYK, LCK KCNH2 2252/4885DRD2 4128/4885DRD1 4615/4885

“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.