SCHEMBL18199879

SCHEMBL18199879

CC(F)(F)c1ccc(C=O)c(F)c1F

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.33
MEN1 O00255 1/20 0.31
LMNA P02545 1/20 0.31
THRB P10828 1/20 0.31
BLM P54132 1/20 0.31
KMT2A Q03164 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
ERN1 O75460 1/20 0.31
KCNJ1 P48048 1/20 0.30
ALDH1A1 P00352 1/20 0.30
TSHR P16473 1/20 0.30

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
SCHEMBL472405 0.83 KIF11 (0.42) KIF11MEN1LMNATHRBBLM
SCHEMBL31306389 0.78 TDP1 (0.47) MEN1LMNATHRBBLMKMT2A
SCHEMBL31306390 0.78 TDP1 (0.47) MEN1LMNATHRBBLMKMT2A
SCHEMBL1806887 0.78 TDP1 (0.47) MEN1LMNATHRBBLMKMT2A
SCHEMBL6903174 0.74 PTGS1 (0.32) MEN1LMNATHRBBLMKMT2A
SCHEMBL22620691 0.74 KDM4E (0.41) KIF11ERN1ALDH1A1
SCHEMBL16880572 0.74
SCHEMBL22620679 0.71 LMNA (0.50) MEN1LMNATHRBBLMKMT2A
SCHEMBL9340566 0.71 KIF11 (0.42) KIF11MEN1LMNATHRBBLM
SCHEMBL154414 0.70 ALDH1A1 (0.44) MEN1LMNATHRBBLMKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9789120-B2 Male contraceptive compositions and methods of use DANA-FARBER CANCER INSTITUTE, INC. (US) 2017-10-17 US disclosed
US-9789120-B2 Male contraceptive compositions and methods of use DANA-FARBER CANCER INSTITUTE, INC. (US) 2017-10-17 US disclosed
US-20160317547-A1 Male Contraceptive Compositions And Methods Of Use NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2016-11-03 US disclosed
US-20160317547-A1 Male Contraceptive Compositions And Methods Of Use NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2016-11-03 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-20160317547-A1 Male Contraceptive Compositions And Methods Of Use SHBG, CYP19A1, CYP17A1 KIF11 1947/4885MEN1 389/4885LMNA 288/4885

“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.