SCHEMBL2885441

SCHEMBL2885441

Oc1cc(Cl)cc(Br)c1Cl

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 6/20 0.56
HSD17B10 Q99714 5/20 0.56
ALDH1A1 P00352 4/20 0.56
HPGD P15428 2/20 0.56
ERN1 O75460 1/20 0.43
CYP3A4 P08684 3/20 0.40
HSP90AA1 P07900 2/20 0.40
TDP1 Q9NUW8 1/20 0.39
RECQL P46063 1/20 0.38
CXCR2 P25025 1/20 0.37
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
F12 P00748 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
SPR P35270 1/20 0.33
ALOX15 P16050 1/20 0.33
PDK2 Q15119 1/20 0.33
MCL1 Q07820 1/20 0.33
DAO P14920 1/20 0.33

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
SCHEMBL6053398 0.80 HSD17B10 (0.72) TSHRHSD17B10ALDH1A1HPGDERN1
SCHEMBL12849942 0.80 TSHR (0.47) TSHRHSD17B10ALDH1A1HPGDERN1
SCHEMBL264625 0.79 ERN1 (0.54) TSHRHSD17B10ALDH1A1HPGDERN1
SCHEMBL7735182 0.75 ALDH1A1 (0.41) TSHRHSD17B10ALDH1A1HPGDERN1
SCHEMBL22119947 0.75 TSHR (0.41) TSHRHSD17B10ALDH1A1HPGDERN1
SCHEMBL23832925 0.75 HPGD (0.37) TSHRHSD17B10ALDH1A1HPGDCYP3A4
SCHEMBL21614390 0.75 SELL (0.46) TSHRHSD17B10ALDH1A1HPGDCYP3A4
SCHEMBL22265090 0.75 ALDH1A1 (0.41) TSHRHSD17B10ALDH1A1HPGDERN1
SCHEMBL23883715 0.75 TSHR (0.41) TSHRHSD17B10ALDH1A1HPGDERN1
SCHEMBL31365173 0.75 TSHR (0.41) TSHRHSD17B10ALDH1A1HPGDERN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113702516-B Detection method of antibacterial and mildew-proof agent in bamboo and wood products 广东产品质量监督检验研究院(国家质量技术监督局广州电气安全检验所、广东省试验认证研究院、华安实验室) 2023-06-02 CN disclosed
CN-113702516-A Detection method of anti-microbial mildew preventive in bamboo and wood products 广东产品质量监督检验研究院(国家质量技术监督局广州电气安全检验所、广东省试验认证研究院、华安实验室) 2021-11-26 CN disclosed
CN-109521125-B Detection method of anti-microbial mildew preventive in bamboo and wood products 广东产品质量监督检验研究院(国家质量技术监督局广州电气安全检验所、广东省试验认证研究院、华安实验室) 2021-06-25 CN disclosed
EP-2121638-B1 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS MERCK SHARP & DOHME (US) 2016-05-25 EP disclosed
US-20100286192-A1 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS ANTHONY NEVILLE J 2010-11-11 US disclosed
US-7781454-B2 Non-nucleoside reverse transcriptase inhibitors MERCK SHARP & DOHME CORP. (US) 2010-08-24 US disclosed
EP-2121638-A2 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS Merck & Co., Inc. (US) 2009-11-25 EP disclosed
US-20080275097-A1 Non-nucleoside reverse transcriptase inhibitors MERCK SHARP & DOHME LLC 2008-11-06 US disclosed
WO-2008076225-A2 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS MERCK & CO., INC. (US) 2008-06-26 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 (2 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-20080275097-A1 Non-nucleoside reverse transcriptase inhibitors RNGTT, RRM2B, RRM2 TSHR 2632/4885HSD17B10 1899/4885ALDH1A1 2863/4885
US-20100286192-A1 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS RNGTT, RRM2B, RRM2 TSHR 2632/4885HSD17B10 1899/4885ALDH1A1 2863/4885

“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.