SCHEMBL25060874

SCHEMBL25060874

Oc1ccc(C(F)(F)F)cc1P(c1ccccc1)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 2/20 0.43
MEN1 O00255 4/20 0.40
KMT2A Q03164 4/20 0.40
TSHR P16473 2/20 0.39
ALDH1A1 P00352 2/20 0.39
ESR1 P03372 3/20 0.38
ESR2 Q92731 3/20 0.38
KIF11 P52732 2/20 0.38
NQO2 P16083 1/20 0.38
TRPV6 Q9H1D0 1/20 0.37
CYP3A4 P08684 2/20 0.37
TDP1 Q9NUW8 1/20 0.37
CNR2 P34972 2/20 0.36
PTGS2 P35354 1/20 0.36
MAPT P10636 3/20 0.35
KCNMA1 Q12791 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35
NFKB1 P19838 1/20 0.35
CYP2C19 P33261 1/20 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
SCHEMBL30954769 0.79 ALDH1A1 (0.45) MEN1KMT2ATSHRALDH1A1KIF11
SCHEMBL29141867 0.79 TAS2R14 (0.41) MEN1KMT2ATSHRALDH1A1KIF11
SCHEMBL29141880 0.79 ALDH1A1 (0.39) HSP90AA1MEN1KMT2ATSHRALDH1A1
SCHEMBL5596033 0.79 ALDH1A1 (0.50) HSP90AA1MEN1KMT2ATSHRALDH1A1
SCHEMBL25060875 0.79 NPC1 (0.41) TSHRALDH1A1ESR1ESR2KIF11
SCHEMBL28294522 0.78 KIF11 (0.46) TSHRALDH1A1KIF11RAB9A
SCHEMBL29141857 0.78 ALDH1A1 (0.38) HSP90AA1MEN1KMT2ATSHRALDH1A1
SCHEMBL29141878 0.77 ALDH1A1 (0.36) MEN1KMT2ATSHRALDH1A1KIF11
SCHEMBL30954775 0.76 ALDH1A1 (0.49) MEN1KMT2ATSHRALDH1A1KIF11
SCHEMBL25176323 0.76 ESR2 (0.56) HSP90AA1MEN1KMT2ATSHRALDH1A1

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-11780864-B2 Rhenium(V) alkylidyne complexes and methods of use and preparation thereof THE HONG KONG UNIVERSITY OF SCIENCE AND TECHNOLOGY (CN) 2023-10-10 US disclosed
US-11780864-B2 Rhenium(V) alkylidyne complexes and methods of use and preparation thereof THE HONG KONG UNIVERSITY OF SCIENCE AND TECHNOLOGY (CN) 2023-10-10 US disclosed
US-20230059662-A1 Rhenium(V) Alkylidyne Complexes and Methods of Use and Preparation Thereof THE HONG KONG UNIVERSITY OF SCIENCE AND TECHNOLOGY (CN) 2023-02-23 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-20230059662-A1 Rhenium(V) Alkylidyne Complexes and Methods of Use and Preparation Thereof RNF168, CCND2, RAD50 HSP90AA1 4349/4885MEN1 349/4885KMT2A 1958/4885
US-11780864-B2 Rhenium(V) alkylidyne complexes and methods of use and preparation thereof RNF168, CCND2, RAD50 HSP90AA1 4349/4885MEN1 349/4885KMT2A 1958/4885

“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.