SCHEMBL22701017

SCHEMBL22701017

C=CCOc1ccc(C)cc1CC=C

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.54
MAPK1 P28482 1/20 0.54
ALDH1A1 P00352 8/20 0.51
LMNA P02545 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
MAPT P10636 5/20 0.46
MEN1 O00255 2/20 0.46
HTT P42858 2/20 0.46
KMT2A Q03164 2/20 0.46
KDM4E B2RXH2 2/20 0.46
GAA P10253 2/20 0.46
ALOX12 P18054 1/20 0.46
PTGDR Q13258 1/20 0.43
PTGDR2 Q9Y5Y4 1/20 0.43
TP53 P04637 1/20 0.43
HPGD P15428 1/20 0.43
POLB P06746 1/20 0.42
CNR2 P34972 1/20 0.42
THRB P10828 1/20 0.41
NPSR1 Q6W5P4 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
SCHEMBL22701018 0.86 MAPT (0.43) L3MBTL1MAPK1ALDH1A1LMNASMN1; SMN2
SCHEMBL3238750 0.84 L3MBTL1 (0.51) L3MBTL1MAPK1ALDH1A1LMNASMN1; SMN2
SCHEMBL16393614 0.83 MAPT (0.44) L3MBTL1MAPK1LMNAMAPTMEN1
SCHEMBL10328509 0.82 GABRA1 (0.56) L3MBTL1MAPK1ALDH1A1LMNASMN1; SMN2
SCHEMBL5931990 0.82 GABRA1 (0.52) MAPK1MEN1HTTKMT2AGAA
SCHEMBL22215851 0.82 KDM4E (0.46) L3MBTL1MAPK1ALDH1A1LMNAMAPT
SCHEMBL11586876 0.81 CNR2 (0.52) ALDH1A1LMNASMN1; SMN2MAPTMEN1
SCHEMBL8161827 0.80 SMN1; SMN2 (0.45) L3MBTL1MAPK1ALDH1A1LMNASMN1; SMN2
SCHEMBL19251013 0.80 ALDH1A1 (0.47) L3MBTL1ALDH1A1MAPTMEN1HTT
SCHEMBL12907781 0.79 CNR2 (0.45) MAPK1ALDH1A1MEN1HTTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1580021-A Allyl phenol preparing method and its product FEI XUENING (CN) 2005-02-16 CN claimed
US-11807596-B2 Thiol compounds, synthesis method therefor, and utilization of said thiol compounds SHIKOKU CHEMICALS CORPORATION (JP) 2023-11-07 US disclosed
US-11807596-B2 Thiol compounds, synthesis method therefor, and utilization of said thiol compounds SHIKOKU CHEMICALS CORPORATION (JP) 2023-11-07 US disclosed
US-20200369606-A1 THIOL COMPOUNDS, SYNTHESIS METHOD THEREFOR, AND UTILIZATION OF SAID THIOL COMPOUNDS SHIKOKU CHEMICALS CORPORATION (JP) 2020-11-26 US disclosed
CN-1580021-A Allyl phenol preparing method and its product FEI XUENING (CN) 2005-02-16 CN 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-20200369606-A1 THIOL COMPOUNDS, SYNTHESIS METHOD THEREFOR, AND UTILIZATION OF SAID THIOL COMPOUNDS TMT1A, CTH, SLC7A11 L3MBTL1 2998/4885MAPK1 3313/4885ALDH1A1 81/4885
US-11807596-B2 Thiol compounds, synthesis method therefor, and utilization of said thiol compounds TMT1A, CTH, SLC7A11 L3MBTL1 2998/4885MAPK1 3313/4885ALDH1A1 81/4885

“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.