SCHEMBL21534433

SCHEMBL21534433

CCC(C)(C)c1cc(C(F)(F)F)ccc1C(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.40
PDE2A O00408 4/20 0.39
AR P10275 1/20 0.39
CES2 O00748 2/20 0.38
MAPK1 P28482 4/20 0.36
SMN1; SMN2 Q16637 4/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
NPSR1 Q6W5P4 3/20 0.36
ALDH1A1 P00352 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
LMNA P02545 2/20 0.34
ATM Q13315 2/20 0.34
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
CASP3 P42574 1/20 0.34
SENP8 Q96LD8 1/20 0.34
SENP7 Q9BQF6 1/20 0.34
SENP6 Q9GZR1 1/20 0.34

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
SCHEMBL23661917 0.87 CES2 (0.43) KIF11PDE2AARCES2MAPK1
SCHEMBL19170782 0.84 KIF11 (0.47) KIF11PDE2ACES2MAPK1MEN1
SCHEMBL22140215 0.83 PDE2A (0.51) KIF11PDE2AARCES2MAPK1
SCHEMBL8225339 0.82 CES2 (0.48) KIF11PDE2AARCES2MAPK1
SCHEMBL24836121 0.81 PDE2A (0.47) KIF11PDE2AARCES2
SCHEMBL18768786 0.81 PDE2A (0.44) KIF11PDE2AARCES2MAPK1
SCHEMBL22140267 0.80 PDE2A (0.38) KIF11PDE2AARCES2MAPK1
SCHEMBL22140214 0.80 PDE2A (0.54) PDE2ACES2ALDH1A1MAPT
SCHEMBL20125681 0.80 MAPT (0.38) KIF11PDE2AARCES2MAPK1
SCHEMBL778350 0.78 MAPK1 (0.47) ARMAPK1SMN1; SMN2MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10463749-B2 Maytansinoid derivatives, conjugates thereof, and methods of use REGENERON PHARMACEUTICALS, INC. (US) 2019-11-05 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-10463749-B2 Maytansinoid derivatives, conjugates thereof, and methods of use HNMT, SLC10A1, SLC10A2 KIF11 2832/4885PDE2A 224/4885AR 710/4885

“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.