SCHEMBL20714775

SCHEMBL20714775

CC(C)Cc1ccc(OP(=O)(O)O)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BLM P54132 2/20 0.51
SRC P12931 1/20 0.48
CYP2C19 P33261 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
PTGS2 P35354 4/20 0.44
PTGS1 P23219 3/20 0.44
LMNA P02545 2/20 0.44
CYP2C9 P11712 2/20 0.44
AKR1C3 P42330 2/20 0.44
CXCR1 P25024 2/20 0.44
CXCR2 P25025 2/20 0.44
ALB P02768 1/20 0.44
ESR1 P03372 1/20 0.44
ALOX5 P09917 1/20 0.44
RARB P10826 1/20 0.44
ADRB3 P13945 1/20 0.44
NFKB1 P19838 1/20 0.44
HTR2A P28223 1/20 0.44
NR1I3 Q14994 1/20 0.44
SLC22A6 Q4U2R8 1/20 0.44

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
SCHEMBL28679705 0.87 BLM (0.48) BLMSRCCYP2C19SMN1; SMN2PTGS2
SCHEMBL21807707 0.86 SLC6A4 (0.58) BLMANPEPLAP3
SCHEMBL3123300 0.86 SLC6A4 (0.58) BLMANPEPLAP3
SCHEMBL1791289 0.85 TSHR (0.52) BLMCYP2C19SMN1; SMN2PTGS2PTGS1
SCHEMBL27680487 0.83 LAP3 (0.53) BLMSRCCYP2C19SMN1; SMN2PTGS2
SCHEMBL15601884 0.83 LDHA (0.47) BLMSRCCYP2C19SMN1; SMN2ANPEP
SCHEMBL14733913 0.83 BLM (0.46) BLMSRCCYP2C19SMN1; SMN2CA1
SCHEMBL14369505 0.82 BLM (0.45) BLMSRCCYP2C19SMN1; SMN2CA1
SCHEMBL28494427 0.81 PTGS2 (0.43) BLMCYP2C19SMN1; SMN2PTGS2PTGS1
SCHEMBL15592509 0.80 LDHA (0.45) BLMSRCCYP2C19SMN1; SMN2PTGS2

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
US-11691976-B2 Coelenterazine analogues PROMEGA CORPORATION (US) 2023-07-04 US disclosed
US-11136615-B2 Compositions and methods for stabilizing benzothiazole luciferin analogs PROMEGA CORPORATION (US) 2021-10-05 US disclosed
CN-111480256-A Electrolyte for lithium secondary battery and lithium secondary battery comprising the same 株式会社LG化学 2020-07-31 CN disclosed
CN-111344323-A Reactive flame retardant blends for flexible polyurethane foams 爱思乐-艾博美国有限公司 2020-06-26 CN disclosed
US-20190040449-A1 COMPOSITIONS AND METHODS FOR STABILIZING BENZOTHIAZOLE LUCIFERIN ANALOGS JPMORGAN CHASE BANK, N.A., AS COLLATERAL AGENT 2019-02-07 US disclosed
CN-101506327-B High-performance phosphate hydraulic oil SOLUTIA INC 2014-06-04 CN disclosed
CN-101506327-A High-performance phosphate hydraulic oil SOLUTIA INC (US) 2009-08-12 CN 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-11691976-B2 Coelenterazine analogues GLB1, SI, TCF7L2 BLM 1091/4885SRC 4413/4885CYP2C19 3234/4885
US-20190040449-A1 COMPOSITIONS AND METHODS FOR STABILIZING BENZOTHIAZOLE LUCIFERIN ANALOGS TK1, TYMP, NUDT1 BLM 286/4885SRC 3855/4885CYP2C19 2545/4885
US-11136615-B2 Compositions and methods for stabilizing benzothiazole luciferin analogs TK1, TYMP, NUDT1 BLM 286/4885SRC 3855/4885CYP2C19 2545/4885

“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.