SCHEMBL21820719

SCHEMBL21820719

COC(=O)C1(c2ccc(OC(F)(F)F)cc2)CCC(=O)C1

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ SLC6A4 P31645 10/20 0.41
▸ SLC6A3 Q01959 7/20 0.41
▸ PDE2A O00408 3/20 0.40
▸ EPHX2 P34913 1/20 0.40
▸ F10 P00742 1/20 0.40
▸ SLC6A2 P23975 1/20 0.39
▸ BACE1 P56817 1/20 0.39
▸ HSD11B1 P28845 1/20 0.38
▸ TRPV1 Q8NER1 1/20 0.38

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
SCHEMBL21820750 0.83 SLC6A4 (0.50) SLC6A4SLC6A3PDE2AEPHX2SLC6A2
SCHEMBL16137494 0.79 MEN1 (0.47) SLC6A4HSD11B1
SCHEMBL13226485 0.79 MEN1 (0.47) SLC6A4HSD11B1
SCHEMBL15523224 0.78 EPHX2 (0.42) SLC6A4SLC6A3PDE2AEPHX2SLC6A2
SCHEMBL16287573 0.77 KCNA3 (0.48) F10
SCHEMBL195327 0.77 THRB (0.44) SLC6A4SLC6A3PDE2AF10HSD11B1
SCHEMBL11047897 0.75 OPRM1 (0.47) F10HSD11B1
SCHEMBL22816518 0.73 SLC6A4 (0.47) SLC6A4SLC6A3PDE2ASLC6A2BACE1
SCHEMBL16897591 0.73 OPRM1 (0.47) HSD11B1
SCHEMBL21820703 0.73 PDE4A (0.39) SLC6A4SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10961266-B2 Chemoselective methylene hydroxylation in aromatic molecules THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2021-03-30 — — US disclosed
US-10961266-B2 Chemoselective methylene hydroxylation in aromatic molecules THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2021-03-30 — — US disclosed
US-20200087331-A1 CHEMOSELECTIVE METHYLENE HYDROXYLATION IN AROMATIC MOLECULES THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS 2020-03-19 — — US disclosed
US-20200087331-A1 CHEMOSELECTIVE METHYLENE HYDROXYLATION IN AROMATIC MOLECULES THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS 2020-03-19 — — 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-10961266-B2 Chemoselective methylene hydroxylation in aromatic molecules PAH, DBH, AHR SLC6A4 2694/4885SLC6A3 290/4885PDE2A 2599/4885
US-20200087331-A1 CHEMOSELECTIVE METHYLENE HYDROXYLATION IN AROMATIC MOLECULES PAH, DBH, AHR SLC6A4 2694/4885SLC6A3 290/4885PDE2A 2599/4885

“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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