SCHEMBL19874204

SCHEMBL19874204

CC1CC1CC(C(=O)O)c1ccc(Br)cn1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 4/20 0.37
▸ ALDH1A1 P00352 3/20 0.37
▸ POLB P06746 1/20 0.35
▸ RAB9A P51151 4/20 0.35
▸ TSHR P16473 1/20 0.33
▸ CPB1 P15086 1/20 0.33
▸ CPB2 Q96IY4 1/20 0.33
▸ S1PR2 O95136 2/20 0.33
▸ S1PR4 O95977 2/20 0.33
▸ S1PR3 Q99500 2/20 0.33
▸ MAPT P10636 1/20 0.33
▸ SMN1; SMN2 Q16637 3/20 0.32
▸ NPC1 O15118 2/20 0.32
▸ IDH1 O75874 3/20 0.32

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
SCHEMBL19874206 1.00 KDM4E (0.37) KDM4EALDH1A1POLBRAB9ATSHR
SCHEMBL19874123 0.85 RAB9A (0.36) POLBRAB9ATSHRS1PR4MAPT
SCHEMBL19874121 0.85 RAB9A (0.36) POLBRAB9ATSHRS1PR4MAPT
SCHEMBL17295770 0.82 CPB2 (0.42) KDM4EALDH1A1RAB9ATSHRCPB1
SCHEMBL19874158 0.81 F11 (0.46) KDM4EPOLBRAB9ANPC1
SCHEMBL19874161 0.81 F11 (0.46) KDM4EPOLBRAB9ANPC1
SCHEMBL19886595 0.80 ALDH1A1 (0.43) KDM4EALDH1A1RAB9ATSHRCPB1
SCHEMBL19874136 0.75 RAB9A (0.35) KDM4EPOLBRAB9AS1PR4MAPT
SCHEMBL30518004 0.74 F11 (0.37) KDM4EALDH1A1RAB9AMAPTSMN1; SMN2
SCHEMBL19874091 0.74 F11 (0.37) KDM4EALDH1A1RAB9AMAPTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3500556-B1 PYRIDINE-1-OXIDE DERIVATIVES AND THEIR USE AS FACTOR XIA INHIBITORS MERCK SHARP & DOHME LLC (US) 2023-08-02 — — EP disclosed
EP-3500556-A1 PYRIDINE-1-OXIDE DERIVATIVES AND THEIR USE AS FACTOR XIA INHIBITORS Merck Sharp & Dohme Corp. (US) 2019-06-26 — — EP disclosed
US-10143681-B2 Factor XIa inhibitors MERCK SHARP & DOHME CORP. (US) 2018-12-04 — — US disclosed
WO-2018039094-A1 PYRIDINE-1-OXIDE DERIVATIVES AND THEIR USE AS FACTOR XIA INHIBITORS MERCK SHARP & DOHME CORP. (US) 2018-03-01 — — WO disclosed
US-20180050022-A1 FACTOR XIa INHIBITORS MERCK SHARP & DOHME CORP (US) 2018-02-22 — — 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-10143681-B2 Factor XIa inhibitors F11, F2, TFPI KDM4E 452/4885ALDH1A1 3291/4885POLB 4718/4885
US-20180050022-A1 FACTOR XIa INHIBITORS F11, F2, TFPI KDM4E 452/4885ALDH1A1 3291/4885POLB 4718/4885

“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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