SCHEMBL22311877

SCHEMBL22311877

O=C(C(CO)c1ccccc1)C(F)(F)F

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ESR1 P03372 1/20 0.49
▸ ESR2 Q92731 1/20 0.49
▸ RIPK1 Q13546 1/20 0.45
▸ CYP2C19 P33261 3/20 0.42
▸ EPHX1 P07099 1/20 0.42
▸ CES1 P23141 2/20 0.41
▸ CHRM2 P08172 3/20 0.39
▸ CHRM5 P08912 3/20 0.39
▸ CHRM1 P11229 3/20 0.39
▸ CHRM3 P20309 3/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ LMNA P02545 2/20 0.39
▸ HTR2C P28335 2/20 0.39
▸ BLM P54132 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ NFKB1 P19838 2/20 0.39
▸ CHRM4 P08173 2/20 0.39
▸ CYP2C9 P11712 2/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ POLB P06746 1/20 0.39

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
SCHEMBL28470470 0.81 ESR1 (0.68) ESR1ESR2EPHX1CES1CHRM1
SCHEMBL24086636 0.81 RIPK1 (0.49) RIPK1CYP2C19EPHX1CHRM2CHRM5
SCHEMBL5272417 0.80 CYP2C19 (0.46) ESR1ESR2RIPK1CYP2C19EPHX1
SCHEMBL4198436 0.77 CYP2C19 (0.59) CYP2C19EPHX1CHRM2CHRM5CHRM1
SCHEMBL27770637 0.77 CYP2C19 (0.48) RIPK1CYP2C19EPHX1CHRM2CHRM5
SCHEMBL468727 0.77 CYP2C19 (0.59) CYP2C19EPHX1CHRM2CHRM5CHRM1
SCHEMBL3689059 0.77 CYP2C19 (0.59) CYP2C19EPHX1CHRM2CHRM5CHRM1
SCHEMBL28229620 0.77 CHRM2 (0.46) CYP2C19CHRM2CHRM5CHRM1CHRM3
SCHEMBL2981738 0.77 RIPK1 (0.65) RIPK1MEN1KMT2A
SCHEMBL2981739 0.77 RIPK1 (0.65) RIPK1MEN1KMT2A

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-11117869-B2 Compounds, compositions and methods for treatment of myopia AERIE PHARMACEUTICALS, INC. (US) 2021-09-14 — — US disclosed
US-20200247760-A1 Compounds, Compositions and Methods for Treatment of Myopia ALCON INC. (CH) 2020-08-06 — — 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-11117869-B2 Compounds, compositions and methods for treatment of myopia MYOC, HDAC8, PDE6C ESR1 4459/4885ESR2 3278/4885RIPK1 2766/4885
US-20200247760-A1 Compounds, Compositions and Methods for Treatment of Myopia MYOC, HDAC8, PDE6C ESR1 4459/4885ESR2 3278/4885RIPK1 2766/4885

“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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