SCHEMBL22699740

SCHEMBL22699740

O=Cc1ccc(CCCCC(F)(F)F)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN2 P17706 1/20 0.40
PTPN1 P18031 1/20 0.40
PTPN6 P29350 1/20 0.40
PTPN11 Q06124 1/20 0.40
ALDH5A1 P51649 1/20 0.39
ABAT P80404 1/20 0.39
HDAC1 Q13547 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CDK1 P06493 1/20 0.36
FAAH O00519 4/20 0.36
S1PR2 O95136 1/20 0.35
S1PR4 O95977 1/20 0.35
S1PR1 P21453 1/20 0.35
S1PR3 Q99500 1/20 0.35
MGLL Q99685 2/20 0.35

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
SCHEMBL16903598 0.86 CYP2A6 (0.38) ALDH5A1ABATALDH1A1LMNAMAPT
SCHEMBL28324720 0.82 CDK1 (0.48) ALDH5A1ABATALDH1A1LMNAMAPT
SCHEMBL15452989 0.80 ALDH1A1 (0.47) ALDH5A1ABATALDH1A1LMNAMAPT
SCHEMBL3033226 0.79 ALDH1A1 (0.41) PTPN2PTPN1PTPN6PTPN11ALDH5A1
SCHEMBL17278365 0.76 ALDH1A1 (0.54) HDAC1HDAC8ALDH1A1MAPTSMN1; SMN2
SCHEMBL7922560 0.76 TAAR1 (0.46) PTPN2PTPN1PTPN6PTPN11
SCHEMBL24355083 0.76 ALDH1A1 (0.42) PTPN2PTPN1PTPN6PTPN11ALDH1A1
SCHEMBL3042260 0.76 CYP2A6 (0.35) ALDH5A1ABATALDH1A1LMNAMAPT
SCHEMBL5429778 0.75 CYP2A6 (0.50) ALDH5A1ABATALDH1A1LMNAMAPT
SCHEMBL23578345 0.75 TAAR1 (0.45) PTPN2PTPN1PTPN6PTPN11HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11345712-B2 Protein-targeting compounds and pharmaceutical compositions thereof, and their therapeutic applications BIOTHERYX, INC. (US) 2022-05-31 US disclosed
US-20200369679-A1 PROTEIN-TARGETING COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF, AND THEIR THERAPEUTIC APPLICATIONS BIOTHERYX, INC. 2020-11-26 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-11345712-B2 Protein-targeting compounds and pharmaceutical compositions thereof, and their therapeutic applications HSP90B1, EIF4EBP1, SERPINA6 PTPN2 1741/4885PTPN1 2097/4885PTPN6 1652/4885
US-20200369679-A1 PROTEIN-TARGETING COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF, AND THEIR THERAPEUTIC APPLICATIONS HSP90B1, EIF4EBP1, SERPINA6 PTPN2 1741/4885PTPN1 2097/4885PTPN6 1652/4885

“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.