SCHEMBL20115058

SCHEMBL20115058

CC(C)c1c(O)cccc1C(F)(F)F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 1/20 0.41
ALDH1A1 P00352 3/20 0.39
TDP1 Q9NUW8 2/20 0.39
TSHR P16473 2/20 0.39
GABRA1 P14867 2/20 0.39
GABRB2 P47870 2/20 0.39
HSD17B1 P14061 3/20 0.37
HSD17B2 P37059 3/20 0.37
ESR1 P03372 2/20 0.36
CA2 P00918 4/20 0.36
CA1 P00915 3/20 0.36
CYP3A4 P08684 2/20 0.36
HPGD P15428 2/20 0.36
CA9 Q16790 2/20 0.36
KDM4E B2RXH2 1/20 0.36
MDM4 O15151 1/20 0.36
TP53 P04637 1/20 0.36
MAPT P10636 1/20 0.36
TYR P14679 1/20 0.36
ALOX15 P16050 1/20 0.36

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
SCHEMBL807279 0.87 P2RX7 (0.48) P2RX7ALDH1A1TDP1TSHRGABRA1
SCHEMBL24450810 0.82 TSHR (0.47) P2RX7ALDH1A1TDP1TSHRHSD17B1
SCHEMBL28958219 0.82 ALDH1A1 (0.56) ALDH1A1TDP1TSHRGABRA1GABRB2
SCHEMBL6676448 0.78 CA12 (0.34) P2RX7ALDH1A1TDP1TSHRESR1
SCHEMBL725385 0.78 GABRA1 (0.52) ALDH1A1TDP1TSHRGABRA1GABRB2
SCHEMBL10304749 0.78 P2RX7 (0.42) P2RX7ALDH1A1TDP1GABRA1GABRB2
SCHEMBL10796149 0.78 P2RX7 (0.50) P2RX7ALDH1A1TSHRGABRA1GABRB2
SCHEMBL4547921 0.78 P2RX7 (0.42) P2RX7CA2SLC6A2HTR2CHTR2B
SCHEMBL12985854 0.76 P2RX7 (0.49) P2RX7ALDH1A1CYP3A4LMNACYP1A2
SCHEMBL25434873 0.76 P2RX7 (0.44) P2RX7ESR1CA2CA1CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10370386-B2 Substituted quinolines as inhibitors of KRAS G12C ARAXES PHARMA LLC (US) 2019-08-06 US disclosed
US-20180118757-A1 SUBSTITUTED QUINAZOLINES AS INHIBITORS OF KRAS G12C ARAXES PHARMA LLC 2018-05-03 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 (2 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-20180118757-A1 SUBSTITUTED QUINAZOLINES AS INHIBITORS OF KRAS G12C KRAS, NRAS, HRAS P2RX7 3188/4885ALDH1A1 4009/4885TDP1 2228/4885
US-10370386-B2 Substituted quinolines as inhibitors of KRAS G12C KRAS, NRAS, HRAS P2RX7 2908/4885ALDH1A1 3675/4885TDP1 2472/4885

“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.