SCHEMBL21695352

SCHEMBL21695352

C=CCOP(=O)(Oc1ccccc1)Oc1ccc(/C=C/c2cc(OP(=O)(OCC=C)Oc3ccccc3)cc(OP(=O)(OCC=C)Oc3ccccc3)c2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LCK P06239 1/20 0.38
ESR1 P03372 4/20 0.36
TTR P02766 2/20 0.36
AHR P35869 2/20 0.36
CYP1A1 P04798 2/20 0.36
CYP1A2 P05177 2/20 0.36
CYP19A1 P11511 2/20 0.36
ABL1 P00519 1/20 0.36
ABCB1 P08183 1/20 0.36
ALOX5 P09917 1/20 0.36
BCR P11274 1/20 0.36
NQO2 P16083 1/20 0.36
PTGS2 P35354 1/20 0.36
CYP1B1 Q16678 1/20 0.36
TUBB4A P04350 1/20 0.36
TUBB P07437 1/20 0.36
TUBA3C P0DPH7 1/20 0.36
TUBA1B P68363 1/20 0.36
TUBA4A P68366 1/20 0.36
TUBB4B P68371 1/20 0.36

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
SCHEMBL21911850 0.85 LCK (0.40) LCKESR1TTRAHRCYP1A1
SCHEMBL446492 0.84 SRC (0.44) KDM4EMEN1CYP3A4KMT2ASMN1; SMN2
SCHEMBL21911922 0.82 PPARA (0.44) LCKTTRNPC1RAB9AKDM4E
SCHEMBL3860027 0.81 SRC (0.44) KDM4EMEN1CYP3A4KMT2ASMN1; SMN2
Phosphoric Acid SCHEMBL11453668 0.80 SRC (0.48) CYP3A4SMN1; SMN2
SCHEMBL21912619 0.79 TDP1 (0.42) LCKESR1TTRAHRCYP1A1
SCHEMBL7772936 0.77 SRC (0.38) NPC1RAB9AKDM4ECYP3A4
SCHEMBL18237267 0.76 SRC (0.39) RAB9AKDM4EMEN1CYP3A4KMT2A
SCHEMBL11882122 0.75 CA1 (0.51) MEN1LMNAKMT2A
SCHEMBL19949867 0.74 ALDH1A1 (0.40) KDM4ELMNACYP3A4MAPTKMT2A

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-11078425-B2 Resveratrol-based flame retardant materials INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2021-08-03 US disclosed
US-20200102501-A1 RESVERATROL-BASED FLAME RETARDANT MATERIALS INTERNATIONAL BUSINESS MACHINES CORPORATION 2020-04-02 US disclosed
US-10557086-B2 Resveratrol-based flame retardant materials INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2020-02-11 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 (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-20200102501-A1 RESVERATROL-BASED FLAME RETARDANT MATERIALS PFKFB1, PFKFB2, PFKFB4 LCK 2811/4885ESR1 255/4885TTR 752/4885
US-10557086-B2 Resveratrol-based flame retardant materials PFKFB1, PFKFB2, PFKFB4 LCK 2811/4885ESR1 255/4885TTR 752/4885
US-11078425-B2 Resveratrol-based flame retardant materials PFKFB1, PFKFB2, PFKFB4 LCK 2811/4885ESR1 255/4885TTR 752/4885

“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.