SCHEMBL6854005

SCHEMBL6854005

Cc1cc(C)cc(OP(=O)(O)OCc2ccc(COP(=O)(O)Oc3cc(C)cc(C)c3)cc2)c1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.49
ALDH1A1 P00352 3/20 0.48
TDP1 Q9NUW8 2/20 0.48
MAPK1 P28482 2/20 0.48
CYP3A4 P08684 1/20 0.48
AKR1C3 P42330 1/20 0.45
SRC P12931 1/20 0.42
LMNA P02545 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
PARP10 Q53GL7 1/20 0.39
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
PGK1 P00558 1/20 0.38
PGK2 P07205 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
MAPT P10636 1/20 0.38
MAOB P27338 1/20 0.37
CYP2C19 P33261 1/20 0.37

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
SCHEMBL11398356 0.80 ALDH1A1 (0.67) TSHRALDH1A1TDP1MAPK1CYP3A4
SCHEMBL28043975 0.79 CYP2C19 (0.58) TSHRALDH1A1TDP1MAPK1CYP3A4
SCHEMBL9138537 0.78 TSHR (0.64) TSHRALDH1A1MAPK1AKR1C3SRC
Fluoride SCHEMBL31047199 0.78 ALDH1A1 (0.64) TSHRALDH1A1TDP1MAPK1CYP3A4
SCHEMBL28674931 0.78 TSHR (0.64) TSHRALDH1A1CYP3A4SRCLMNA
SCHEMBL6859524 0.76 SRC (0.46) TSHRAKR1C3SRCLMNANPC1
SCHEMBL32660809 0.75 CYP3A4 (0.47) TSHRALDH1A1TDP1MAPK1CYP3A4
SCHEMBL444558 0.74 TSHR (0.75) TSHRALDH1A1AKR1C3SRCMEN1
SCHEMBL27637440 0.74 ALDH1A1 (0.53) TSHRALDH1A1TDP1MAPK1CYP3A4
SCHEMBL16815024 0.73 TSHR (0.53) TSHRALDH1A1TDP1MAPK1AKR1C3

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-6794528-B2 HEAT RESISTANCE, FLAME RETARDERS, STABILIZERS; REACTING DIALCOHOL COMPOUND WITH A PHOSPHYL OXYCHLORIDE COMPOUND DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2004-09-21 US disclosed
US-20030109736-A1 Phosphorus compound DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2003-06-12 US disclosed
EP-1277758-A1 PHOSPHORUS COMPOUND Daicel Chemical Industries, Ltd. (JP) 2003-01-22 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-20030109736-A1 Phosphorus compound NR4A1, POLL, NR0B1 TSHR 2410/4885ALDH1A1 3180/4885TDP1 1650/4885

“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.