SCHEMBL3714923

SCHEMBL3714923

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

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
RXRB P28702 2/20 0.53
RXRA P19793 1/20 0.53
CES1 P23141 1/20 0.48
ACHE P22303 2/20 0.46
ALDH1A1 P00352 1/20 0.45
PLA2G2D Q9UNK4 1/20 0.44
NR1H4 Q96RI1 1/20 0.42
MLYCD O95822 4/20 0.42
MYC P01106 1/20 0.41

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
SCHEMBL10494608 0.82 ACHE (0.50) CES1ACHEALDH1A1MLYCD
SCHEMBL3721831 0.81 KDM4E (0.47) ACHEALDH1A1MLYCD
SCHEMBL29399874 0.80 MYC (0.58) RXRBRXRAALDH1A1MYC
SCHEMBL44342 0.80 MYC (0.58) RXRBRXRAALDH1A1MYC
SCHEMBL20768563 0.80 RXRB (0.48) RXRBRXRAALDH1A1NR1H4MYC
SCHEMBL19200565 0.79 ACHE (0.47) CES1ACHEMLYCD
SCHEMBL23391014 0.79 RXRB (0.49) RXRBRXRACES1ALDH1A1NR1H4
Ammonia Solution, Strong SCHEMBL11880552 0.78 MYC (0.56) RXRBRXRAALDH1A1MYC
Water SCHEMBL3832510 0.78 MYC (0.56) RXRBRXRAALDH1A1MYC
Hydrochloric Acid SCHEMBL3169435 0.78 MYC (0.56) RXRBRXRAALDH1A1MYC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021105840-A1 PROCESS FOR PURIFICATION OF FLURALANER HIKAL LIMITED (IN) 2021-06-03 WO disclosed
US-20100305093-A1 Inhibitors of mTOR and Methods of Making and Using EXELIXIS, INC. (US) 2010-12-02 US disclosed
US-20100305093-A1 Inhibitors of mTOR and Methods of Making and Using EXELIXIS, INC. (US) 2010-12-02 US disclosed
US-20100305093-A1 Inhibitors of mTOR and Methods of Making and Using EXELIXIS, INC. (US) 2010-12-02 US disclosed
WO-2010118208-A1 BENZOXAZEPIN-4- (5H) -YL DERIVATIVES AND THEIR USE TO TREAT CANCER EXELIXIS, INC. (US) 2010-10-14 WO disclosed
WO-2010118208-A1 BENZOXAZEPIN-4- (5H) -YL DERIVATIVES AND THEIR USE TO TREAT CANCER EXELIXIS, INC. (US) 2010-10-14 WO 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-20100305093-A1 Inhibitors of mTOR and Methods of Making and Using MTOR, RICTOR, RPTOR RXRB 4815/4885RXRA 4821/4885CES1 1386/4885

“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.