SCHEMBL1812602

SCHEMBL1812602

Cc1cc(Cl)cc(C(=O)O)c1Br

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.48
HSD17B10 Q99714 2/20 0.48
HPGD P15428 1/20 0.48
AKR1C4 P17516 1/20 0.48
AKR1C3 P42330 1/20 0.48
AKR1C2 P52895 1/20 0.48
AKR1C1 Q04828 1/20 0.48
MYC P01106 4/20 0.47
NR4A1 P22736 2/20 0.47
CYP3A4 P08684 1/20 0.47
TP53 P04637 1/20 0.45
NOTUM Q6P988 2/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
TPMT P51580 1/20 0.41
DYRK1A Q13627 1/20 0.41
TSHR P16473 1/20 0.41
CASP1 P29466 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
KDM4E B2RXH2 1/20 0.41

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
SCHEMBL29145350 0.86 BCL2L1 (0.36) ALDH1A1HSD17B10HPGDAKR1C4AKR1C3
SCHEMBL29145339 0.84 ALDH1A1 (0.43) ALDH1A1HPGDCYP3A4CASP1SMN1; SMN2
SCHEMBL25381284 0.81 ABL1 (0.45) ALDH1A1HPGDSMN1; SMN2
SCHEMBL8148635 0.81 CYP3A4 (0.59) ALDH1A1HSD17B10HPGDAKR1C4AKR1C3
SCHEMBL14940473 0.81 KDM4E (0.59) ALDH1A1HSD17B10HPGDMYCNR4A1
SCHEMBL5351288 0.81 AKR1C3 (0.50) HSD17B10HPGDAKR1C4AKR1C3AKR1C2
SCHEMBL27705723 0.81 AKR1C4 (0.50) ALDH1A1HSD17B10HPGDAKR1C4AKR1C3
SCHEMBL123067 0.79 AKR1C2 (0.64) ALDH1A1HSD17B10HPGDAKR1C4AKR1C3
SCHEMBL566074 0.79 CYP3A4 (0.48) ALDH1A1HSD17B10HPGDAKR1C4AKR1C3
SCHEMBL30810288 0.79 AKR1C2 (0.64) ALDH1A1HSD17B10HPGDAKR1C4AKR1C3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107674068-B Method for synthesizing chlorantraniliprole derivative intermediate 浙江工业大学 2023-12-19 CN claimed
CN-107674068-B Method for synthesizing chlorantraniliprole derivative intermediate 浙江工业大学 2023-12-19 CN disclosed
EP-2902463-B1 COMPOUND FOR ORGANIC OPTOELECTRONIC DEVICE, ORGANIC LIGHT-EMITTING DEVICE, AND DISPLAY DEVICE CHEIL IND INC (KR) 2019-10-23 EP disclosed
US-10333081-B2 Compound for organic optoelectronic device, organic light emitting diode including the same and display including the organic light emitting diode SAMSUNG SDI CO., LTD. (KR) 2019-06-25 US disclosed
US-20180138423-A1 COMPOUND FOR ORGANIC OPTOELECTRONIC DEVICE, ORGANIC LIGHT EMITTING DIODE INCLUDING THE SAME AND DISPLAY INCLUDING THE ORGANIC LIGHT EMITTING DIODE SAMSUNG SDI CO LTD (KR) 2018-05-17 US disclosed
EP-3034581-B1 COMPOSITION AND ORGANIC OPTOELECTRONIC ELEMENT SAMSUNG SDI CO LTD (KR) 2018-04-04 EP disclosed
US-9899607-B2 Compound for organic optoelectronic device, organic light emitting diode including the same and display including the organic light emitting diode SAMSUNG SDI CO., LTD. (KR) 2018-02-20 US disclosed
EP-3034581-A1 COMPOSITION, ORGANIC OPTOELECTRONIC ELEMENT, AND DISPLAY DEVICE Samsung SDI Co., Ltd. (KR) 2016-06-22 EP disclosed
US-9368733-B2 Compound for organic optoelectronic device, organic light-emitting device containing the same, and display device including said organic light-emitting device SAMSUNG SDI CO., LTD. (KR) 2016-06-14 US disclosed
US-20160133851-A1 COMPOSITION, ORGANIC OPTOELECTRONIC ELEMENT, AND DISPLAY DEVICE SAMSUNG SDI CO., LTD. (KR) 2016-05-12 US disclosed
EP-2450975-B1 Compound for organic optoelectronic device and organic light emitting diode including the same CHEIL IND INC (KR) 2014-01-08 EP disclosed
EP-2627181-A2 HETEROARYLS AND USES THEREOF Millennium Pharmaceuticals, Inc. (US) 2013-08-21 EP disclosed
US-20120214794-A1 HETEROARYLS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-08-23 US disclosed
US-20120112174-A1 COMPOUND FOR ORGANIC OPTOELECTRONIC DEVICE, ORGANIC LIGHT EMITTING DIODE INCLUDING THE SAME AND DISPLAY DEVICE INCLUDING THE ORGANIC LIGHT EMITTING DIODE CHEIL INDUSTRIES, INC. (KR) 2012-05-10 US disclosed
EP-2450975-A2 Compound for organic optoelectronic device and organic light emitting diode including the same Cheil Industries Inc. (KR) 2012-05-09 EP disclosed
WO-2012051410-A2 HETEROARYLS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-04-19 WO disclosed
EP-2321296-A1 SUBSTITUTED 5-AMINOPYRAZOLES AND USE THEREOF Bayer Schering Pharma Aktiengesellschaft (DE) 2011-05-18 EP disclosed
US-20100099681-A1 SUBSTITUTED 5-AMINOPYRAZOLES AND USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-04-22 US disclosed
WO-2010020363-A1 SUBSTITUTED 5-AMINOPYRAZOLES AND USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-02-25 WO disclosed
US-20040087569-A1 N-heterocyclic bicyclic lactone compounds NELSON TODD D (US) 2004-05-06 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 (6 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-20120112174-A1 COMPOUND FOR ORGANIC OPTOELECTRONIC DEVICE, ORGANIC LIGHT EMITTING DIODE INCLUDING THE SAME AND DISPLAY DEVICE INCLUDING THE ORGANIC LIGHT EMITTING DIODE AOX1, OCIAD1, OCIAD2 ALDH1A1 14/4885HSD17B10 889/4885HPGD 1696/4885
US-20180138423-A1 COMPOUND FOR ORGANIC OPTOELECTRONIC DEVICE, ORGANIC LIGHT EMITTING DIODE INCLUDING THE SAME AND DISPLAY INCLUDING THE ORGANIC LIGHT EMITTING DIODE OR51E2, AOX1, ODC1 ALDH1A1 18/4885HSD17B10 979/4885HPGD 2025/4885
US-20040087569-A1 N-heterocyclic bicyclic lactone compounds VIP, NGLY1, NPPA ALDH1A1 2305/4885HSD17B10 138/4885HPGD 128/4885
US-20120214794-A1 HETEROARYLS AND USES THEREOF RICTOR, AKT2, MTOR ALDH1A1 1446/4885HSD17B10 163/4885HPGD 1012/4885
US-20100099681-A1 SUBSTITUTED 5-AMINOPYRAZOLES AND USE THEREOF CYP3A5, ABAT, TPMT ALDH1A1 260/4885HSD17B10 1675/4885HPGD 194/4885
US-10333081-B2 Compound for organic optoelectronic device, organic light emitting diode including the same and display including the organic light emitting diode OR51E2, AOX1, ODC1 ALDH1A1 18/4885HSD17B10 979/4885HPGD 2025/4885

“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.