SCHEMBL4757401

SCHEMBL4757401

CCOCCOCc1ccc(Br)cc1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.50
NPC1 O15118 1/20 0.44
HPGD P15428 1/20 0.44
RAB9A P51151 1/20 0.44
GAA P10253 1/20 0.44
APP P05067 1/20 0.41
MAOB P27338 3/20 0.41
POLB P06746 2/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
CHRM3 P20309 2/20 0.38
MMP14 P50281 1/20 0.38
TAAR1 Q96RJ0 2/20 0.38
CTDSP1 Q9GZU7 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
SCHEMBL5048050 0.91 IDO1 (0.54) IDO1NPC1HPGDRAB9AGAA
SCHEMBL134086 0.89 IDO1 (0.61) IDO1APPMAOBCHRM3TAAR1
SCHEMBL8418497 0.87 IDO1 (0.50) IDO1APPMAOBPOLBLMNA
SCHEMBL9342149 0.86 IDO1 (0.58) IDO1APPMAOBCHRM3TAAR1
SCHEMBL21578433 0.86 IDO1 (0.58) IDO1APPMAOBCHRM3TAAR1
SCHEMBL9342899 0.86 IDO1 (0.58) IDO1APPMAOBCHRM3TAAR1
SCHEMBL1372413 0.85 IDO1 (0.48) IDO1NPC1HPGDRAB9AGAA
SCHEMBL509255 0.83 IDO1 (0.47) IDO1NPC1HPGDRAB9AAPP
SCHEMBL3106528 0.83 IDO1 (0.50) IDO1NPC1RAB9AGAAAPP
SCHEMBL11108664 0.83 TAAR1 (0.47) IDO1NPC1HPGDRAB9AGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240025862-A1 SUBSTITUTED N-PHENYLURACILS AND SALTS THEREOF, AND USE THEREOF AS HERBICIDAL ACTIVE SUBSTANCES BAYER AKTIENGESELLSCHAFT (DE) 2024-01-25 US disclosed
US-20230131260-A1 SUBSTITUTED THIOPHENYL URACILS, SALTS THEREOF AND THE USE THEREOF AS HERBICIDAL AGENTS SYNGENTA CROP PROTECTION AG (CH) 2023-04-27 US disclosed
US-9065062-B2 Cross-linkable iridium complexes and organic light-emitting devices using the same UNIVERSAL DISPLAY CORPORATION (US) 2015-06-23 US disclosed
US-9065062-B2 Cross-linkable iridium complexes and organic light-emitting devices using the same UNIVERSAL DISPLAY CORPORATION (US) 2015-06-23 US disclosed
US-20120107989-A1 CROSS-LINKABLE IRIDIUM COMPLEXES AND ORGANIC LIGHT-EMITTING DEVICES USING THE SAME UNIVERSAL DISPLAY CORPORATION 2012-05-03 US disclosed
US-20120107989-A1 CROSS-LINKABLE IRIDIUM COMPLEXES AND ORGANIC LIGHT-EMITTING DEVICES USING THE SAME UNIVERSAL DISPLAY CORPORATION 2012-05-03 US disclosed
US-8119255-B2 First and second electrode; a first organic layer between the electrodes; the first organic layer is a non-electroluminescent, cross-linked metal complex; and a second organic layer is an emissive electroluminescent organic material UNIVERSAL DISPLAY CORPORATION (US) 2012-02-21 US disclosed
US-8119255-B2 First and second electrode; a first organic layer between the electrodes; the first organic layer is a non-electroluminescent, cross-linked metal complex; and a second organic layer is an emissive electroluminescent organic material UNIVERSAL DISPLAY CORPORATION (US) 2012-02-21 US disclosed
US-20080220265-A1 Cross-linkable Iridium Complexes and Organic Light-Emitting Devices Using the Same UNIVERSAL DISPLAY CORPORATION (US) 2008-09-11 US disclosed
US-20080220265-A1 Cross-linkable Iridium Complexes and Organic Light-Emitting Devices Using the Same UNIVERSAL DISPLAY CORPORATION (US) 2008-09-11 US disclosed
WO-2008073440-A2 CROSS-LINKABLE IRIDIUM COMPLEXES AND ORGANIC LIGHT-EMITTING DEVICES USING THE SAME UNIVERSAL DISPLAY CORPORATION (US) 2008-06-19 WO disclosed
EP-1140896-A1 BENZOTHIEPIN-ANILIDE DERIVATIVES, THEIR PRODUCTION AND THEIR USE FOR ANTAGONIZING CCR-5 Takeda Chemical Industries, Ltd. (JP) 2001-10-10 EP disclosed
US-6235771-B1 AIDS THERPAY TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-05-22 US disclosed
WO-2000037455-A1 BENZOTHIEPIN-ANILIDE DERIVATIVES, THEIR PRODUCTION AND THEIR USE FOR ANTAGONIZING CCR-5 TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2000-06-29 WO 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 (4 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-20080220265-A1 Cross-linkable Iridium Complexes and Organic Light-Emitting Devices Using the Same MTCL3, LIG4, L1CAM IDO1 227/4885NPC1 4795/4885HPGD 2118/4885
US-20120107989-A1 CROSS-LINKABLE IRIDIUM COMPLEXES AND ORGANIC LIGHT-EMITTING DEVICES USING THE SAME MTCL3, LIG4, L1CAM IDO1 227/4885NPC1 4795/4885HPGD 2118/4885
US-20240025862-A1 SUBSTITUTED N-PHENYLURACILS AND SALTS THEREOF, AND USE THEREOF AS HERBICIDAL ACTIVE SUBSTANCES PFAS, DDT, NOTUM IDO1 860/4885NPC1 4691/4885HPGD 272/4885
US-20230131260-A1 SUBSTITUTED THIOPHENYL URACILS, SALTS THEREOF AND THE USE THEREOF AS HERBICIDAL AGENTS UNG, TYMP, TYMS IDO1 552/4885NPC1 4836/4885HPGD 2034/4885

“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.