SCHEMBL21118540

SCHEMBL21118540

COc1ccc(C(Cl)(c2ccccc2)c2ccc(OC3CCCCCCC3)cc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FFAR1 O14842 1/20 0.40
▸ MEN1 O00255 3/20 0.40
▸ KMT2A Q03164 3/20 0.40
▸ CYP19A1 P11511 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ EPHX2 P34913 1/20 0.39
▸ KIF11 P52732 2/20 0.38
▸ KCNH2 Q12809 1/20 0.38
▸ HRH1 P35367 1/20 0.38
▸ SIGMAR1 Q99720 1/20 0.38
▸ FAAH O00519 1/20 0.37
▸ PDK2 Q15119 1/20 0.37
▸ CHRNB4 P30926 1/20 0.36
▸ CHRNA3 P32297 1/20 0.36
▸ CHRNA7 P36544 1/20 0.36
▸ CHRNA10 Q9GZZ6 1/20 0.36
▸ CHRNA9 Q9UGM1 1/20 0.36
▸ GRM2 Q14416 1/20 0.36
▸ NPY2R P49146 1/20 0.36

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
SCHEMBL22626945 0.93 HRH1 (0.43) FFAR1SMN1; SMN2EPHX2HRH1FAAH
SCHEMBL21118539 0.89 EGFR (0.46) FFAR1MEN1KMT2ASMN1; SMN2EPHX2
SCHEMBL16698731 0.81 CA4 (0.54) SMN1; SMN2KIF11KCNH2SIGMAR1
SCHEMBL3148517 0.81 MAPT (0.51) FFAR1MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL26862 0.81 CA4 (0.54) SMN1; SMN2KIF11KCNH2SIGMAR1
SCHEMBL121800 0.81 CA4 (0.54) SMN1; SMN2KIF11KCNH2SIGMAR1
SCHEMBL21372315 0.81 KCNN4 (0.37) FFAR1SMN1; SMN2EPHX2HRH1FAAH
Ammonia Solution, Strong SCHEMBL17187816 0.79 CA4 (0.52) SMN1; SMN2KIF11KCNH2SIGMAR1
SCHEMBL21551879 0.79 CA4 (0.52) SMN1; SMN2KIF11KCNH2SIGMAR1
Methane SCHEMBL28252951 0.79 CA4 (0.52) SMN1; SMN2KIF11KCNH2SIGMAR1

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-11634455-B2 Amino diacids containing peptide modifiers CHEMICAL & BIOPHARMACEUTICAL LABORATORIES OF PATRAS S.A. (GR) 2023-04-25 — — US disclosed
US-20190177362-A1 AMINO DIACIDS CONTAINING PEPTIDE MODIFIERS CHEMICAL & BIOPHARMACEUTICAL LABORATORIES OF PATRAS S.A. (GR) 2019-06-13 — — 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-20190177362-A1 AMINO DIACIDS CONTAINING PEPTIDE MODIFIERS PTMS, PEPD, VIP FFAR1 4092/4885MEN1 56/4885KMT2A 2174/4885
US-11634455-B2 Amino diacids containing peptide modifiers PTMS, PEPD, VIP FFAR1 4092/4885MEN1 56/4885KMT2A 2174/4885

“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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