SCHEMBL23878152

SCHEMBL23878152

CNC(=O)OC1(c2cc(F)cc(F)c2)CC1

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ HDAC3 O15379 3/20 0.34
▸ HDAC1 Q13547 3/20 0.34
▸ HDAC2 Q92769 3/20 0.34
▸ HDAC6 Q9UBN7 3/20 0.34
▸ HCAR3 P49019 1/20 0.32
▸ HCAR2 Q8TDS4 1/20 0.32
▸ CES2 O00748 1/20 0.31
▸ CES1 P23141 1/20 0.31
▸ HDAC4 P56524 1/20 0.31

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
SCHEMBL23878153 0.80 — —
SCHEMBL28438507 0.77 CES2 (0.34) HDAC3HDAC1HDAC2HDAC6HCAR3
SCHEMBL27853655 0.76 OPRM1 (0.41) HDAC4
SCHEMBL25564135 0.75 DRD2 (0.37) HDAC3HDAC1HDAC2HDAC6HCAR3
SCHEMBL25564232 0.73 HDAC3 (0.37) HDAC3HDAC1HDAC2HDAC6HCAR3
SCHEMBL25564311 0.73 HDAC3 (0.37) HDAC3HDAC1HDAC2HDAC6HCAR3
SCHEMBL16908880 0.73 FPR2 (0.40) HDAC1
SCHEMBL25564314 0.73 HDAC3 (0.37) HDAC3HDAC1HDAC2HDAC6HCAR3
SCHEMBL24112626 0.72 SLC6A4 (0.43) HDAC3HDAC1HDAC2HDAC6HCAR3
SCHEMBL25574870 0.71 HDAC3 (0.33) HDAC3HDAC1HDAC2HDAC6HCAR3

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-20240034729-A9 HETEROCYCLIC COMPOUND, INTERMEDIATE, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF WUHAN LL SCIENCE AND TECHNOLOGY DEVELOPMENT CO., LTD. (CN) 2024-02-01 — — US disclosed
US-20230068538-A1 HETEROCYCLIC COMPOUND, INTERMEDIATE, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF WUHAN LL SCIENCE & TECHNOLOGY DEVELOPMENT CO LTD (CN) 2023-03-02 — — US disclosed
EP-3889154-A1 HETEROCYCLIC COMPOUND INTERMEDIATE, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF Wuhan LL Science And Technology Development Co., Ltd. (CN) 2021-10-06 — — EP 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-20230068538-A1 HETEROCYCLIC COMPOUND, INTERMEDIATE, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF P2RX3, P2RX7, P2RX4 HDAC3 2505/4885HDAC1 3602/4885HDAC2 2889/4885
US-20240034729-A9 HETEROCYCLIC COMPOUND, INTERMEDIATE, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF P2RX3, P2RX7, P2RX4 HDAC3 2505/4885HDAC1 3602/4885HDAC2 2889/4885

“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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