SCHEMBL2015419

SCHEMBL2015419

CCCCCCCCc1ccc2c(c1)CCC2=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR3 P46089 1/20 0.46
HSD17B10 Q99714 2/20 0.45
CASP1 P29466 1/20 0.45
CASP7 P55210 1/20 0.45
HSD17B1 P14061 1/20 0.44
KAT8 Q9H7Z6 2/20 0.43
PPARA Q07869 1/20 0.43
SLC6A2 P23975 3/20 0.43
SLC6A4 P31645 3/20 0.43
HTR2A P28223 2/20 0.43
HTR2C P28335 2/20 0.43
DRD2 P14416 1/20 0.43
ESR1 P03372 2/20 0.42
ADRA2A P08913 2/20 0.42
ADORA3 P0DMS8 2/20 0.42
TACR2 P21452 2/20 0.42
SLC6A3 Q01959 2/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42

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
SCHEMBL14495944 1.00 GPR3 (0.46) GPR3HSD17B10CASP1CASP7HSD17B1
SCHEMBL4552528 0.98 CASP1 (0.46) GPR3HSD17B10CASP1CASP7HSD17B1
SCHEMBL3238273 0.94 CASP1 (0.47) HSD17B10CASP1CASP7HSD17B1
SCHEMBL3827782 0.92 MAOA (0.48) GPR3HSD17B1KAT8PPARASLC6A2
SCHEMBL2286696 0.91 MAOA (0.50) GPR3HSD17B1
SCHEMBL26970651 0.88 PBRM1 (0.45) GPR3HSD17B10KAT8PPARASLC6A2
Fluoride SCHEMBL27510143 0.87 GPR3 (0.50) GPR3HSD17B10KAT8PPARASLC6A2
SCHEMBL27844076 0.84 MAOA (0.52) HSD17B1
SCHEMBL86398 0.81 CASP1 (0.47) HSD17B10CASP1CASP7HSD17B1
SCHEMBL80040 0.81 CASP1 (0.47) HSD17B10CASP1CASP7HSD17B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3377473-B1 MACROCYCLIC BROAD SPECTRUM ANTIBIOTICS RQX PHARMACEUTICALS INC (US) 2024-06-19 EP disclosed
US-20230133817-A1 MACROCYCLIC BROAD SPECTRUM ANTIBIOTICS RQX PHARMACEUTICALS INC (US) 2023-05-04 US disclosed
US-20230133817-A1 MACROCYCLIC BROAD SPECTRUM ANTIBIOTICS RQX PHARMACEUTICALS INC (US) 2023-05-04 US disclosed
CN-108884058-B Macrocyclic broad spectrum antibiotics 阿奇克斯制药公司 2022-04-29 CN disclosed
CN-108884058-A MACROCYCLIC BROAD SPECTRUM ANTIBIOTICS 阿奇克斯制药公司 2018-11-23 CN disclosed
US-20180327367-A1 MACROCYCLIC BROAD SPECTRUM ANTIBIOTICS WUXI APPTEC CO., LTD (CN) 2018-11-15 US disclosed
US-7964649-B2 Hydrindane analogs having sphingosine 1-phosphate receptor agonist activity UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2011-06-21 US disclosed
US-7964649-B2 Hydrindane analogs having sphingosine 1-phosphate receptor agonist activity UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2011-06-21 US disclosed
US-20090253760-A1 HYDRINDANE ANALOGS HAVING SPHINGOSINE 1-PHOSPHATE RECEPTOR AGONIST ACTIVITY UNIVERSITY OF VIRGINIA PATENT FOUNDATION 2009-10-08 US disclosed
US-20090253760-A1 HYDRINDANE ANALOGS HAVING SPHINGOSINE 1-PHOSPHATE RECEPTOR AGONIST ACTIVITY UNIVERSITY OF VIRGINIA PATENT FOUNDATION 2009-10-08 US disclosed
EP-2099741-A2 HYDRINDANE ANALOGS HAVING SPHINGOSINE 1-PHOSPHATE RECEPTOR AGONIST ACTIVITY University Of Virginia Patent Foundation (US) 2009-09-16 EP disclosed
WO-2008064320-A2 HYDRINDANE ANALOGS HAVING SPHINGOSINE 1-PHOSPHATE RECEPTOR AGONIST ACTIVITY UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2008-05-29 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 (3 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-20090253760-A1 HYDRINDANE ANALOGS HAVING SPHINGOSINE 1-PHOSPHATE RECEPTOR AGONIST ACTIVITY S1PR1, S1PR3, S1PR2 GPR3 25/4885HSD17B10 1738/4885CASP1 3120/4885
US-20180327367-A1 MACROCYCLIC BROAD SPECTRUM ANTIBIOTICS MRPL21, PEPD, CTSC GPR3 4652/4885HSD17B10 2943/4885CASP1 8/4885
US-20230133817-A1 MACROCYCLIC BROAD SPECTRUM ANTIBIOTICS MRPL21, PEPD, CTSC GPR3 4652/4885HSD17B10 2943/4885CASP1 8/4885

“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.