SCHEMBL5599004

SCHEMBL5599004

Cc1c(C)c(C)c2c(-c3ccccc3)c3ccccc3c(-c3ccccc3)c2c1C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ACHE P22303 2/20 0.43
▸ ESR1 P03372 1/20 0.39
▸ ESR2 Q92731 1/20 0.39
▸ MAPT P10636 4/20 0.39
▸ LMNA P02545 3/20 0.39
▸ HTT P42858 1/20 0.39
▸ KDM4E B2RXH2 2/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ CYP1A2 P05177 2/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38

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
SCHEMBL2336005 0.82 MAPT (0.48) ACHEESR1ESR2MAPTLMNA
SCHEMBL20936 0.82 MAPT (0.48) ACHEESR1ESR2MAPTLMNA
SCHEMBL27525625 0.81 HPGD (0.43) ACHEESR1ESR2MAPTLMNA
SCHEMBL4642722 0.80 ACHE (0.52) ACHEESR1ESR2MAPTLMNA
Bromide SCHEMBL2942753 0.79 MAPT (0.46) ACHEESR1ESR2MAPTLMNA
Hydrochloric Acid SCHEMBL11227364 0.79 MAPT (0.46) ACHEESR1ESR2MAPTLMNA
SCHEMBL7270754 0.79 ACHE (0.50) ACHEESR1ESR2MAPTLMNA
SCHEMBL14367077 0.77 KMT2A (0.39) ACHEMAPTLMNAHTTKDM4E
SCHEMBL7694531 0.77 ACHE (0.41) ACHEESR1ESR2MAPTLMNA
SCHEMBL282856 0.77 ALDH1A1 (0.50) ACHEESR1ESR2MAPTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 ACHE 2392/4885ESR1 1343/4885ESR2 224/4885

“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.

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