SCHEMBL25508709

SCHEMBL25508709

c1ccc(-c2ccc(-c3ccccc3)c3cc(-c4c5ccccc5c(-c5ccc6ccccc6c5)c5ccccc45)ccc23)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSTP1 P09211 1/20 0.43
GPR84 Q9NQS5 2/20 0.42
ALOX5 P09917 2/20 0.42
CYP1A2 P05177 2/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
TSHR P16473 1/20 0.41
CYP2C19 P33261 1/20 0.41
SOS1 Q07889 1/20 0.41
HIF1A Q16665 1/20 0.41
ESR1 P03372 4/20 0.41
ESR2 Q92731 4/20 0.41
HSD17B1 P14061 2/20 0.41
HSD17B2 P37059 2/20 0.41
CYP1A1 P04798 2/20 0.40
CYP1B1 Q16678 2/20 0.40
HDAC4 P56524 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
MEN1 O00255 3/20 0.40

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
SCHEMBL25493147 0.89 GSTP1 (0.43) GSTP1GPR84ALOX5CYP1A2CYP2D6
SCHEMBL15366918 0.88 ESR1 (0.43) GSTP1GPR84ALOX5CYP1A2CYP2D6
SCHEMBL17320750 0.86 PIK3CA (0.49) HSD17B1HSD17B2KDM4EALDH1A1MAPT
SCHEMBL29295264 0.86 ESR1 (0.47) GSTP1GPR84ALOX5CYP1A2CYP2D6
SCHEMBL29375861 0.86 ESR1 (0.50) GSTP1GPR84ALOX5CYP1A2CYP2D6
SCHEMBL259152 0.86 ESR1 (0.50) GSTP1GPR84ALOX5CYP1A2CYP2D6
SCHEMBL4652541 0.85 ALOX5 (0.46) GSTP1GPR84ALOX5CYP1A2CYP2D6
SCHEMBL5502280 0.85 ESR1 (0.53) GSTP1GPR84ALOX5CYP1A2ESR1
SCHEMBL30730877 0.85 ESR1 (0.53) GSTP1GPR84ALOX5CYP1A2ESR1
SCHEMBL26756017 0.84 HDAC4 (0.45) GSTP1GPR84ALOX5CYP1A2CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12018039-B2 Boron compound, and organic light-emitting diode comprising same SFC CO., LTD. (KR) 2024-06-25 US disclosed
US-20230329109-A1 POLYCYCLIC AROMATIC DERIVATIVE COMPOUND AND ORGANOELECTROLUMINESCENT DEVICE USING SAME SFC CO., LTD. (KR) 2023-10-12 US disclosed
US-20230284515-A1 POLYCYCLIC AROMATIC DERIVATIVE COMPOUND AND ORGANIC LIGHT-EMITTING ELEMENT USING THE SAME SFC CO., LTD. (KR) 2023-09-07 US disclosed
US-20230159566-A1 NOVEL BORON COMPOUND AND ORGANIC LIGHT-EMITTING DIODE COMPRISING SAME SFC CO., LTD. (KR) 2023-05-25 US disclosed
US-20230125146-A1 POLYCYCLIC AROMATIC DERIVATIVE COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE USING SAME SFC CO., LTD (KR) 2023-04-27 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 (5 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-20230159566-A1 NOVEL BORON COMPOUND AND ORGANIC LIGHT-EMITTING DIODE COMPRISING SAME CLTB, CD79B, CYBA GSTP1 2115/4885GPR84 1918/4885ALOX5 1365/4885
US-12018039-B2 Boron compound, and organic light-emitting diode comprising same CLTB, CD79B, CYBA GSTP1 2029/4885GPR84 2558/4885ALOX5 1411/4885
US-20230125146-A1 POLYCYCLIC AROMATIC DERIVATIVE COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE USING SAME TYR, NLRP3, NLRP1 GSTP1 2912/4885GPR84 2490/4885ALOX5 1002/4885
US-20230284515-A1 POLYCYCLIC AROMATIC DERIVATIVE COMPOUND AND ORGANIC LIGHT-EMITTING ELEMENT USING THE SAME ARNT, AHR, TYR GSTP1 3235/4885GPR84 3392/4885ALOX5 744/4885
US-20230329109-A1 POLYCYCLIC AROMATIC DERIVATIVE COMPOUND AND ORGANOELECTROLUMINESCENT DEVICE USING SAME DDT, UROD, DDC GSTP1 2063/4885GPR84 816/4885ALOX5 2775/4885

“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.