SCHEMBL24780985

SCHEMBL24780985

CC(C)c1ccc2c(c1)C(F)(F)CC2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 2/20 0.41
HPGD P15428 1/20 0.37
GFER P55789 1/20 0.37
HSD17B10 Q99714 1/20 0.37
CYP3A4 P08684 3/20 0.35
KARS1 Q15046 3/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
TSHR P16473 2/20 0.35
PDK1 Q15118 1/20 0.35
PDK3 Q15120 1/20 0.35
PDK4 Q16654 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
TP53 P04637 1/20 0.35
MAPT P10636 1/20 0.35
ALOX15 P16050 1/20 0.35
MAPK1 P28482 1/20 0.35
RXRA P19793 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
SCHEMBL10199817 0.89 AKR1B1 (0.37) PDK2HPGDGFERHSD17B10CYP3A4
SCHEMBL9770517 0.79 HPGD (0.41) PDK2HPGDGFERHSD17B10CYP3A4
SCHEMBL12533350 0.77 CYP3A4 (0.44) PDK2CYP3A4KARS1MEN1KMT2A
SCHEMBL12074862 0.76 KARS1 (0.43) PDK2HPGDGFERHSD17B10CYP3A4
SCHEMBL12534040 0.76 HPGD (0.40) PDK2HPGDGFERHSD17B10CYP3A4
SCHEMBL23569863 0.75 KDM1A (0.40) PDK2CYP3A4ALDH1A1KDM1A
SCHEMBL8649981 0.73 CYP3A4 (0.40) PDK2HPGDGFERHSD17B10CYP3A4
SCHEMBL12533417 0.73 PDK2 (0.37) PDK2TP53MAPTPTGS1AKR1B1
SCHEMBL26141023 0.73 KARS1 (0.46) PDK2HPGDGFERHSD17B10CYP3A4
Isopropylbenzene SCHEMBL11245662 0.73 RXRA (0.38) PDK2HPGDGFERHSD17B10CYP3A4

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-20220402869-A1 TRANSCRIPTIONAL ENHANCED ASSOCIATE DOMAIN (TEAD) TRANSCRIPTION FACTOR INHIBITORS AND USES THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2022-12-22 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-20220402869-A1 TRANSCRIPTIONAL ENHANCED ASSOCIATE DOMAIN (TEAD) TRANSCRIPTION FACTOR INHIBITORS AND USES THEREOF TEAD1, TEAD4, TEAD2 PDK2 1874/4885HPGD 1533/4885GFER 4655/4885

“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.