SCHEMBL18359591

SCHEMBL18359591

CCOB(O)c1ccc(F)cc1F

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.35
MAPT P10636 2/20 0.35
RAB9A P51151 1/20 0.35
ALDH1A1 P00352 3/20 0.35
TDP1 Q9NUW8 1/20 0.35
PKM P14618 2/20 0.35
IDO1 P14902 2/20 0.34
AGXT P21549 2/20 0.34
CES2 O00748 1/20 0.33
CES1 P23141 1/20 0.33
CA3 P07451 1/20 0.32
CA6 P23280 1/20 0.32
CA5A P35218 1/20 0.32
CA9 Q16790 1/20 0.32
CA14 Q9ULX7 1/20 0.32
CA5B Q9Y2D0 1/20 0.32
MAOB P27338 1/20 0.32
SMN1; SMN2 Q16637 1/20 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
SCHEMBL31416562 0.81 RIPK1 (0.32) RAB9APKMIDO1AGXTCES2
SCHEMBL14703761 0.81 CES2 (0.38) RAB9AALDH1A1IDO1AGXTCES2
SCHEMBL5306361 0.80 PTGS2 (0.34) MAPTALDH1A1TDP1SMN1; SMN2
SCHEMBL39406 0.76 CES2 (0.43) POLBMAPTALDH1A1TDP1CES2
SCHEMBL29395656 0.76 CES2 (0.43) POLBMAPTALDH1A1TDP1CES2
SCHEMBL16976767 0.76 IDO1 (0.41) ALDH1A1TDP1IDO1AGXTCES2
SCHEMBL2318155 0.76 CES2 (0.36) ALDH1A1TDP1IDO1AGXTCES2
SCHEMBL21315979 0.73 ORAI1 (0.48) POLBMAPTRAB9AALDH1A1TDP1
SCHEMBL26576590 0.72 CES2 (0.40) POLBMAPTALDH1A1TDP1PKM
SCHEMBL2407958 0.72 ORAI1 (0.44) ALDH1A1TDP1IDO1AGXTCES2

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-11912702-B2 Substituted pyridines as inhibitors of histone deacetylase ALKERMES, INC. (US) 2024-02-27 US disclosed
US-20210276977-A1 BICYCLIC INHIBITORS OF HISTONE DEACETYLASE ALKERMES, INC. 2021-09-09 US disclosed
WO-2017001733-A1 BICYCLIC HETEROCYCLE DERIVATIVES AS BROMODOMAIN INHIBITORS ORION CORPORATION (FI) 2017-01-05 WO 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-11912702-B2 Substituted pyridines as inhibitors of histone deacetylase HDAC2, HDAC1, HDAC3 POLB 1316/4885MAPT 975/4885RAB9A 3405/4885
US-20210276977-A1 BICYCLIC INHIBITORS OF HISTONE DEACETYLASE HDAC1, HDAC2, HDAC11 POLB 684/4885MAPT 1407/4885RAB9A 3189/4885

“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.