SCHEMBL3686032

SCHEMBL3686032

OB(O)c1ccccc1-c1ccc2ccccc2c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSTP1 P09211 1/20 0.52
HDAC4 P56524 1/20 0.51
HDAC2 Q92769 1/20 0.51
HDAC8 Q9BY41 1/20 0.51
SLC6A2 P23975 1/20 0.50
SLC6A4 P31645 1/20 0.50
SLC6A3 Q01959 1/20 0.50
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
ESR2 Q92731 2/20 0.47
ESR1 P03372 1/20 0.47
ALOX5 P09917 1/20 0.46
HSD17B1 P14061 1/20 0.44
HSD17B2 P37059 1/20 0.44
DHFR P00374 1/20 0.41
ERN1 O75460 1/20 0.40
AKR1C3 P42330 1/20 0.40
AKR1C2 P52895 1/20 0.40
KDM4E B2RXH2 1/20 0.40
MIF P14174 1/20 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
SCHEMBL29410296 1.00 GSTP1 (0.52) GSTP1HDAC4HDAC2HDAC8SLC6A2
SCHEMBL29071227 0.87 ESR2 (0.64) HDAC4HDAC2HDAC8ESR2ESR1
SCHEMBL556400 0.84 HDAC4 (0.45) GSTP1HDAC4HDAC2HDAC8SLC6A2
SCHEMBL556401 0.81 HDAC4 (0.45) GSTP1HDAC4HDAC2HDAC8SLC6A2
SCHEMBL26815312 0.81 MEN1 (0.44) GSTP1HDAC4HDAC2HDAC8SLC6A2
SCHEMBL2508673 0.80 GSTP1 (0.47) GSTP1HDAC4HDAC2HDAC8SLC6A2
SCHEMBL29710463 0.80 GSTP1 (0.47) GSTP1HDAC4HDAC2HDAC8SLC6A2
SCHEMBL28585217 0.80 CYP17A1 (0.50) GSTP1KDM4E
SCHEMBL20067350 0.79 CA1 (0.62) GSTP1HDAC4HDAC2HDAC8SLC6A2
SCHEMBL30491158 0.79 GSTP1 (0.70) GSTP1HDAC4HDAC2HDAC8SLC6A2

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 39 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117720447-A Method for synthesizing 1,3-N, S compound by rhodium catalysis 华南理工大学 2024-03-19 CN disclosed
US-20240090327-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2024-03-14 US disclosed
US-20240090318-A1 NOVEL ORGANIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME SFC CO., LTD. (KR) 2024-03-14 US disclosed
US-20240057471-A1 ORGANIC LIGHT-EMITTING DEVICE COMPRISING NOVEL ORGANIC COMPOUND IN EMISSION LAYER SFC CO., LTD. (KR) 2024-02-15 US disclosed
EP-4273946-A1 ORGANIC LIGHT-EMITTING DEVICE COMPRISING NOVEL ORGANIC COMPOUND IN EMISSION LAYER SFC Co., Ltd. (KR) 2023-11-08 EP disclosed
EP-4273114-A1 NOVEL ORGANIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME SFC Co., Ltd. (KR) 2023-11-08 EP disclosed
US-20230242484-A1 NITROGEN-CONTAINING COMPOUND, AND ELECTRONIC ELEMENT AND ELECTRONIC APPARATUS USING SAME SHAANXI LIGHTE OPTOELECTRONICS MATERIAL CO., LTD. (CN) 2023-08-03 US disclosed
US-20230242484-A1 NITROGEN-CONTAINING COMPOUND, AND ELECTRONIC ELEMENT AND ELECTRONIC APPARATUS USING SAME SHAANXI LIGHTE OPTOELECTRONICS MATERIAL CO., LTD. (CN) 2023-08-03 US disclosed
EP-4200294-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES Merck Patent GmbH (DE) 2023-06-28 EP disclosed
CN-112876388-B GPR120 agonist and preparation method and application thereof 山东大学 2023-03-31 CN disclosed
US-8829502-B2 Condensed polycyclic compound and organic light emitting element including the same CANON KABUSHIKI KAISHA (JP) 2014-09-09 US disclosed
US-20130048965-A1 CONDENSED POLYCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING ELEMENT INCLUDING THE SAME CANON KABUSHIKI KAISHA (JP) 2013-02-28 US disclosed
US-20130048965-A1 CONDENSED POLYCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING ELEMENT INCLUDING THE SAME CANON KABUSHIKI KAISHA (JP) 2013-02-28 US disclosed
US-8318995-B2 Asymmetric pyrene derivative and organic electroluminescence device employing the same IDEMITSU KOSAN CO., LTD. (JP) 2012-11-27 US disclosed
US-20100308718-A1 ASYMMETRIC PYRENE DERIVATIVE AND ORGANIC ELECTROLUMINESCENCE DEVICE EMPLOYING THE SAME IDEMITSU KOSAN CO., LTD. (JP) 2010-12-09 US disclosed
US-20100237330-A1 ORGANIC ELECTROLUMINESCENT COMPOUND AND ORGANIC LIGTH EMITTING DIODE USING THE SAME LEE MI AE 2010-09-23 US disclosed
US-20100237330-A1 ORGANIC ELECTROLUMINESCENT COMPOUND AND ORGANIC LIGTH EMITTING DIODE USING THE SAME LEE MI AE 2010-09-23 US disclosed
US-7763761-B2 Asymmetric pyrene derivative and organic electroluminescence device employing the same IDEMITSU KOSAN CO., LTD. (JP) 2010-07-27 US disclosed
EP-1749809-A1 ASYMMETRIC PYRENE DERIVATIVE AND ORGANIC ELECTROLUMINESCENT DEVICE USING SAME IDEMITSU KOSAN CO., LTD. (JP) 2007-02-07 EP disclosed
US-20060154107-A1 Asymmetric pyrene derivative and organic electroluminescence device employing the same IDEMITSU KOSAN CO., LTD. (JP) 2006-07-13 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 (7 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-20100237330-A1 ORGANIC ELECTROLUMINESCENT COMPOUND AND ORGANIC LIGTH EMITTING DIODE USING THE SAME OCIAD1, OCIAD2, LIG4 GSTP1 915/4885HDAC4 1952/4885HDAC2 1124/4885
US-20230242484-A1 NITROGEN-CONTAINING COMPOUND, AND ELECTRONIC ELEMENT AND ELECTRONIC APPARATUS USING SAME MNS1, NSFL1C, NCF1 GSTP1 1776/4885HDAC4 4835/4885HDAC2 4442/4885
US-20100308718-A1 ASYMMETRIC PYRENE DERIVATIVE AND ORGANIC ELECTROLUMINESCENCE DEVICE EMPLOYING THE SAME ESR1, EBPL, JUP GSTP1 662/4885HDAC4 4622/4885HDAC2 3706/4885
US-20130048965-A1 CONDENSED POLYCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING ELEMENT INCLUDING THE SAME CCNE2, NFE2L2, CRY2 GSTP1 2275/4885HDAC4 2676/4885HDAC2 937/4885
US-20240090318-A1 NOVEL ORGANIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME AOX1, PPOX, CYBA GSTP1 624/4885HDAC4 4089/4885HDAC2 2990/4885
US-20240057471-A1 ORGANIC LIGHT-EMITTING DEVICE COMPRISING NOVEL ORGANIC COMPOUND IN EMISSION LAYER AOX1, CYBA, OR10J3 GSTP1 379/4885HDAC4 4692/4885HDAC2 3564/4885
US-20240090327-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES OR10J3, L1CAM, EPCAM GSTP1 678/4885HDAC4 4309/4885HDAC2 3677/4885

“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.