SCHEMBL9712472

SCHEMBL9712472

C=Cc1cc(C=O)ccc1C(F)(F)F

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.49
ALDH1A1 P00352 6/20 0.35
KDM4E B2RXH2 2/20 0.35
PTGS2 P35354 1/20 0.35
RAB9A P51151 1/20 0.35
AKR1C3 P42330 1/20 0.35
AKR1C2 P52895 1/20 0.35
APP P05067 1/20 0.34
GRIA1 P42261 1/20 0.33
GRIA2 P42262 1/20 0.33
GRIA3 P42263 1/20 0.33
GRIA4 P48058 1/20 0.33
NFKB1 P19838 1/20 0.33
VCAM1 P19320 1/20 0.33
TSHR P16473 1/20 0.32
ERN1 O75460 2/20 0.32
HSD17B10 Q99714 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
BACE1 P56817 1/20 0.31
ALDH1A3 P47895 1/20 0.31

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
SCHEMBL6853514 0.86 KIF11 (0.53) KIF11ALDH1A1KDM4EPTGS2RAB9A
SCHEMBL3892476 0.81 ALDH1A1 (0.36) KIF11ALDH1A1KDM4EPTGS2RAB9A
SCHEMBL23783662 0.79 KIF11 (0.46) KIF11ALDH1A1KDM4EPTGS2RAB9A
SCHEMBL472408 0.78 KIF11 (0.56) KIF11ALDH1A1KDM4EPTGS2RAB9A
SCHEMBL6849159 0.76 KIF11 (0.55) KIF11ALDH1A1KDM4EPTGS2RAB9A
SCHEMBL9798193 0.76 ALDH1A1 (0.43) KIF11ALDH1A1KDM4EPTGS2RAB9A
SCHEMBL23783611 0.75 KIF11 (0.38) KIF11ALDH1A1KDM4EAKR1C3AKR1C2
SCHEMBL22271996 0.75 ALDH1A1 (0.41) KIF11ALDH1A1KDM4EPTGS2RAB9A
SCHEMBL48409 0.75 KIF11 (0.73) KIF11ALDH1A1KDM4EPTGS2RAB9A
SCHEMBL6852469 0.75 APP (0.49) KIF11ALDH1A1KDM4EPTGS2RAB9A

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-20220168268-A1 SMALL-MOLECULE INHIBITOR OF PD-1/PD-L1, PHARMACEUTICAL COMPOSITION THEREOF WITH PD-L1 ANTIBODY, AND APPLICATION OF SAME GUANGZHOU MAXINOVEL PHARMACEUTICALS CO., LTD. (CN) 2022-06-02 US disclosed
EP-3733659-A1 AROMATIC VINYL OR AROMATIC ETHYL DERIVATIVE, PREPARATION METHOD THEREFOR, INTERMEDIATE, PHARMACEUTICAL COMPOSITION, AND APPLICATION Guangzhou Maxinovel Pharmaceuticals Co., Ltd. (CN) 2020-11-04 EP disclosed
US-5117057-A Insecticidal N' substituted-N-N'-disubstituted-hydrazines ROHM AND HAAS COMPANY (US) 1992-05-26 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 (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-20220168268-A1 SMALL-MOLECULE INHIBITOR OF PD-1/PD-L1, PHARMACEUTICAL COMPOSITION THEREOF WITH PD-L1 ANTIBODY, AND APPLICATION OF SAME PDCD1, PDCD1LG2, CD274 KIF11 2038/4885ALDH1A1 206/4885KDM4E 372/4885

“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.