SCHEMBL22701022

SCHEMBL22701022

C=CCc1ccccc1OCC(=C)C

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.54
ADRB2 P07550 4/20 0.51
ADRB1 P08588 4/20 0.51
LMNA P02545 3/20 0.51
HTR1A P08908 2/20 0.51
ADRA2C P18825 2/20 0.51
ADRB3 P13945 2/20 0.51
SLC6A2 P23975 1/20 0.51
BDKRB2 P30411 1/20 0.51
SLC6A4 P31645 1/20 0.51
ADRA1A P35348 1/20 0.51
HTR2B P41595 1/20 0.51
KCNH2 Q12809 1/20 0.51
CYP1A2 P05177 1/20 0.51
CYP2D6 P10635 1/20 0.51
TSHR P16473 1/20 0.51
NFKB1 P19838 1/20 0.51
KDM4E B2RXH2 4/20 0.50
PMP22 Q01453 1/20 0.50
TDP1 Q9NUW8 1/20 0.50

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
SCHEMBL3312441 0.85 ALDH1A1 (0.54) ALDH1A1ADRB2ADRB1LMNAHTR1A
SCHEMBL15624109 0.84 KDM4E (0.52) ALDH1A1ADRB2ADRB1LMNAHTR1A
SCHEMBL11552066 0.82 ALDH1A1 (0.52) ALDH1A1ADRB2ADRB1LMNAHTR1A
SCHEMBL11667153 0.80 KDM4E (0.54) ALDH1A1ADRB2ADRB1LMNAHTR1A
SCHEMBL869669 0.80 PTGDR2 (0.64) ALDH1A1ADRB2ADRB1LMNAHTR1A
SCHEMBL29457182 0.80 SMN1; SMN2 (0.48) ALDH1A1LMNAKCNH2TSHRKDM4E
SCHEMBL9750660 0.80 SMN1; SMN2 (0.48) ALDH1A1LMNAKCNH2TSHRKDM4E
SCHEMBL7329095 0.80 KDM4E (0.56) ALDH1A1ADRB2ADRB1LMNAHTR1A
Phosphoric Acid SCHEMBL29253402 0.79 ALDH1A1 (0.49) ALDH1A1ADRB2ADRB1LMNAHTR1A
SCHEMBL3255815 0.79 ALDH1A1 (0.56) ALDH1A1ADRB2ADRB1LMNAHTR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 ALDH1A1 81/4885ADRB2 4245/4885ADRB1 3907/4885
US-11807596-B2 Thiol compounds, synthesis method therefor, and utilization of said thiol compounds TMT1A, CTH, SLC7A11 ALDH1A1 81/4885ADRB2 4245/4885ADRB1 3907/4885

“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.