SCHEMBL3223722

SCHEMBL3223722

C[C]1C(C)=C(C)C(C)=C1c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.40
▸ PDE4B Q07343 1/20 0.38
▸ TSHR P16473 2/20 0.36
▸ ACHE P22303 2/20 0.36
▸ LMNA P02545 2/20 0.36
▸ ALOX12 P18054 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ MAPT P10636 2/20 0.33
▸ SLC22A2 O15244 1/20 0.33
▸ SLC22A1 O15245 1/20 0.33
▸ SLC22A3 O75751 1/20 0.33
▸ SLC6A4 P31645 1/20 0.33
▸ MITF O75030 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ CYP2A6 P11509 1/20 0.33
▸ CYP2B6 P20813 1/20 0.33
▸ PTGS2 P35354 2/20 0.32
▸ CDC25A P30304 1/20 0.32
▸ CDC25B P30305 1/20 0.32

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
SCHEMBL20161110 0.74 PDE4B (0.54) ALDH1A1PDE4BLMNAMAPTMITF
SCHEMBL9359484 0.70 ALDH1A1 (0.42) ALDH1A1PDE4BTSHRACHELMNA
SCHEMBL15014068 0.70 PDE4B (0.50) ALDH1A1PDE4BLMNAMAPTMITF
SCHEMBL532969 0.69 ALDH1A1 (0.67) ALDH1A1PDE4BLMNAMAPTSLC22A2
SCHEMBL852224 0.69 ALDH1A1 (0.67) ALDH1A1PDE4BLMNAMAPTSLC22A2
SCHEMBL532970 0.69 ALDH1A1 (0.67) ALDH1A1PDE4BLMNAMAPTSLC22A2
SCHEMBL10700253 0.68 CDC25A (0.45) ALDH1A1PDE4BLMNAMAPTMITF
SCHEMBL20121190 0.68 PDE4B (0.54) ALDH1A1PDE4BLMNAMAPTMITF
SCHEMBL7258464 0.68 PDE4B (0.54) ALDH1A1PDE4BLMNAL3MBTL1MAPT
SCHEMBL30965328 0.68 ALDH1A1 (0.40) ALDH1A1PDE4BTSHRACHELMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100069683-A1 Organic metal compound and process for preparing optically-active alcohols using the same KANTO KAGAKU KABUSHIKI KAISHA (JP) 2010-03-18 — — US disclosed
US-20090062573-A1 Organic metal compound and process for preparing optically-active alcohols using the same KANTO KAGAKU KABUSHIKI KAISHA (JP) 2009-03-05 — — 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 (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-20090062573-A1 Organic metal compound and process for preparing optically-active alcohols using the same ADH1C, ADH1A, ADH5 ALDH1A1 26/4885PDE4B 4358/4885TSHR 1544/4885
US-20100069683-A1 Organic metal compound and process for preparing optically-active alcohols using the same ADH1C, ADH1A, ADH5 ALDH1A1 26/4885PDE4B 4358/4885TSHR 1544/4885

“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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