SCHEMBL7250264

SCHEMBL7250264

CCOC(=O)c1ccc(F)cc1CBr

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.52
CYP4F2 P78329 1/20 0.49
CYP4A11 Q02928 1/20 0.49
CA12 O43570 2/20 0.47
CA1 P00915 2/20 0.47
CA2 P00918 2/20 0.47
CA7 P43166 2/20 0.47
CA9 Q16790 2/20 0.47
CA14 Q9ULX7 2/20 0.47
SMN1; SMN2 Q16637 3/20 0.44
POLB P06746 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
KDM4E B2RXH2 4/20 0.44
MAPT P10636 3/20 0.44
LMNA P02545 2/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
HPGD P15428 3/20 0.43
HSD17B10 Q99714 3/20 0.43
MEN1 O00255 3/20 0.43

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
SCHEMBL1470290 0.88 TSHR (0.52) TSHRCYP4F2CYP4A11CA12CA1
SCHEMBL7703503 0.84 FFAR4 (0.45) TSHRCA12CA1CA2CA7
SCHEMBL13870603 0.84 CYP4F2 (0.51) TSHRCYP4F2CYP4A11CA12CA1
SCHEMBL1702411 0.83 CYP4F2 (0.66) TSHRCYP4F2CYP4A11CA12CA1
SCHEMBL5238335 0.83 SMN1; SMN2 (0.51) TSHRCYP4F2CYP4A11CA12CA1
SCHEMBL4628672 0.82 TSHR (0.60) TSHRCA12CA1CA2CA7
SCHEMBL5250038 0.81 CYP4F2 (0.56) TSHRCYP4F2CYP4A11CA12CA1
SCHEMBL14941222 0.81 TSHR (0.50) TSHRCYP4F2CYP4A11CA12CA1
SCHEMBL5777608 0.81 TSHR (0.55) TSHRCYP4F2CYP4A11CA12CA1
SCHEMBL5405115 0.81 MRGPRX4 (0.48) TSHRCYP4F2CYP4A11CA12CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023029943-A1 AROMATIC HETEROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF 星药科技(北京)有限公司 2023-03-09 WO disclosed
CN-111057074-B Inhibitors of influenza virus replication and uses thereof 广东东阳光药业有限公司 2022-04-29 CN disclosed
CN-111057074-A Inhibitors of influenza virus replication and uses thereof 广东东阳光药业有限公司 2020-04-24 CN disclosed
US-7524864-B2 Methods of treating sleep disorders HYPNION, INC. (US) 2009-04-28 US disclosed
US-7524864-B2 Methods of treating sleep disorders HYPNION, INC. (US) 2009-04-28 US disclosed
US-20030216571-A1 Antiallergens; antiinflammatory agents UBE INDUSTRIES, LTD. (JP) 2003-11-20 US disclosed
EP-1254897-A1 TRICYCLIC COMPOUNDS Ube Industries, Ltd. (JP) 2002-11-06 EP disclosed
US-4816591-A 6,11-dihydrodibenz[b,e]oxepin-acetic acids and derivatives AMERICAN HOECHST CORPORATION (US) 1989-03-28 US disclosed
US-4585788-A 6,11-dihydrodibenz[b,e]oxepin-acetic acids and derivatives AMERICAN HOECHST CORPORATION (US) 1986-04-29 US disclosed
US-4082850-A TOPICAL APPLICATION OF A 6,11-DIHYDROBENZ(B,E)OXEPIN-ALKANOIC ACID OR DERIVATIVES THEREOF AMERICAN HOECHST CORPORATION (US) 1978-04-04 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-20030216571-A1 Antiallergens; antiinflammatory agents CYSLTR2, CYSLTR1, LTC4S TSHR 4253/4885CYP4F2 2431/4885CYP4A11 767/4885

“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.