SCHEMBL22916767

SCHEMBL22916767

CCCC#Cc1cc(C)c(C)cc1C(=O)C(=O)OC

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 1/20 0.33
MMP9 P14780 1/20 0.33
MMP13 P45452 1/20 0.33
ADAM17 P78536 1/20 0.33
CXCR5 P32302 1/20 0.32
CTSL P07711 1/20 0.32
CTSB P07858 1/20 0.32
TAS1R3 Q7RTX0 2/20 0.32
TAS1R1 Q7RTX1 2/20 0.32
TLR8 Q9NR97 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
HDAC11 Q96DB2 1/20 0.30

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
SCHEMBL22916689 0.83 MMP1 (0.31) MMP1MMP9MMP13ADAM17
SCHEMBL22916683 0.71 MEN1 (0.34) CTSLCTSBTAS1R3TAS1R1CYP3A4
SCHEMBL22916772 0.70 CYP3A4 (0.37) CTSLCTSBCYP3A4CYP2C9CYP2C19
SCHEMBL21427488 0.70 LCK (0.39)
SCHEMBL6705713 0.69 MGLL (0.44) TAS1R3TAS1R1
SCHEMBL22916751 0.67 TAS1R3 (0.41) CTSLCTSBTAS1R3TAS1R1CYP3A4
SCHEMBL3327663 0.66 ATM (0.37) TAS1R3TAS1R1CYP2C9CYP2C19
SCHEMBL2773793 0.66 ALDH1A1 (0.44) CYP2C9CYP2C19
SCHEMBL16783400 0.66 LMNA (0.46) CYP3A4CYP2C9CYP2C19
SCHEMBL20556334 0.66 KDM4E (0.39)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210022338-A1 ALKYNE COMPOUND AND ARTHROPOD PEST CONTROL COMPOSITION CONTAINING SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2021-01-28 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-20210022338-A1 ALKYNE COMPOUND AND ARTHROPOD PEST CONTROL COMPOSITION CONTAINING SAME C5, C9, C3AR1 MMP1 4220/4885MMP9 2898/4885MMP13 3106/4885

“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.