SCHEMBL5599404

SCHEMBL5599404

CCCCCCCCc1ccc(Cl)cc1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 4/20 0.73
ESR1 P03372 2/20 0.63
ADRA2A P08913 2/20 0.63
ADORA3 P0DMS8 2/20 0.63
TACR2 P21452 2/20 0.63
SLC6A2 P23975 2/20 0.63
SLC6A4 P31645 2/20 0.63
SLC6A3 Q01959 2/20 0.63
KDM4E B2RXH2 1/20 0.63
ALDH1A1 P00352 1/20 0.63
LMNA P02545 1/20 0.63
SHBG P04278 1/20 0.63
TP53 P04637 1/20 0.63
CYP3A4 P08684 1/20 0.63
HSPD1 P10809 1/20 0.63
ADRB3 P13945 1/20 0.63
HTR2C P28335 1/20 0.63
HSPE1 P61604 1/20 0.63
HIF1A Q16665 1/20 0.63
TST Q16762 1/20 0.63

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
SCHEMBL27946204 1.00 KCNH2 (0.73) KCNH2ESR1ADRA2AADORA3TACR2
SCHEMBL5271597 1.00 KCNH2 (0.73) KCNH2ESR1ADRA2AADORA3TACR2
SCHEMBL28265190 1.00 KCNH2 (0.73) KCNH2ESR1ADRA2AADORA3TACR2
SCHEMBL3261675 1.00 KCNH2 (0.73) KCNH2ESR1ADRA2AADORA3TACR2
SCHEMBL811576 1.00 KCNH2 (0.73) KCNH2ESR1ADRA2AADORA3TACR2
SCHEMBL361374 1.00 KCNH2 (0.73) KCNH2ESR1ADRA2AADORA3TACR2
SCHEMBL5834756 1.00 KCNH2 (0.73) KCNH2ESR1ADRA2AADORA3TACR2
SCHEMBL28816241 1.00 KCNH2 (0.73) KCNH2ESR1ADRA2AADORA3TACR2
SCHEMBL11959874 1.00 KCNH2 (0.73) KCNH2ESR1ADRA2AADORA3TACR2
SCHEMBL2056149 0.98 KCNH2 (0.70) KCNH2ESR1ADRA2AADORA3TACR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119816509-A Novel iron-based compounds, method for the production thereof and use thereof as catalysts 巴黎萨克雷大学 2025-04-11 CN disclosed
CN-119039108-A Method for preparing 4-n-alkylphenol 大连奇凯医药科技有限公司 2024-11-29 CN disclosed
CN-109096046-B Preparation method of halogenated alkane synthesized from styrene and derivatives thereof and trichloroalkane 温州大学 2021-03-02 CN disclosed
EP-1312605-B1 Method for producing biaryl compounds SUMITOMO CHEMICAL CO (JP) 2007-04-25 EP disclosed
US-7122711-B2 Method for producing biaryl compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2006-10-17 US disclosed
US-20030158419-A1 Method for producing biaryl compound SUMITOMO CHEMICAL COMPANY, LIMITED 2003-08-21 US disclosed
EP-1312605-A1 Method for producing biaryl compounds SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2003-05-21 EP disclosed
US-4076756-A Process for the preparation of triarylborane E. I. DU PONT DE NEMOURS AND COMPANY (US) 1978-02-28 US disclosed
US-4046815-A Process for the preparation of triarylborane E. I. DU PONT DE NEMOURS AND COMPANY (US) 1977-09-06 US disclosed
US-4045495-A Process for the preparation of triarylboranes E. I. DU PONT DE NEMOURS AND COMPANY (US) 1977-08-30 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 (1 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-20030158419-A1 Method for producing biaryl compound B2M, BMI1, CYP2W1 KCNH2 305/4885ESR1 1343/4885ADRA2A 1855/4885

“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.