SCHEMBL22185235

SCHEMBL22185235

CC(C)c1cc(F)c(F)cc1Oc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 2/20 0.44
KCNQ3 O43525 1/20 0.40
KCNQ2 O43526 1/20 0.40
KCNQ4 P56696 1/20 0.40
KCNQ5 Q9NR82 1/20 0.40
HTR2A P28223 2/20 0.40
SLC6A4 P31645 2/20 0.40
BCL2 P10415 1/20 0.38
MCL1 Q07820 1/20 0.38
LTA4H P09960 2/20 0.38
TSHR P16473 1/20 0.38
AR P10275 1/20 0.37
P2RX3 P56373 1/20 0.37
P2RX2 Q9UBL9 1/20 0.37
HRH1 P35367 1/20 0.36
PTGS1 P23219 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
SCHEMBL22185408 0.88 HTR2A (0.39) DHODHKCNQ3KCNQ2KCNQ4KCNQ5
SCHEMBL19317570 0.85 SLC6A2 (0.42) DHODHSLC6A4
SCHEMBL12618091 0.81 HTR2A (0.53) DHODHHTR2ASLC6A4AR
SCHEMBL22185406 0.81 SLC6A4 (0.49) DHODHHTR2ASLC6A4BCL2MCL1
SCHEMBL22199172 0.76 SLC6A4 (0.42) HTR2ASLC6A4LTA4HTSHRHRH1
SCHEMBL19317585 0.75 SLC6A4 (0.41) DHODHHTR2ASLC6A4LTA4HTSHR
SCHEMBL18737242 0.75 BCL2 (0.44) BCL2MCL1LTA4HTSHRPTGS1
SCHEMBL11584107 0.75 PTGS1 (0.39) HTR2ASLC6A4BCL2MCL1LTA4H
SCHEMBL26866955 0.75 PTGS1 (0.39) DHODHBCL2MCL1LTA4HTSHR
SCHEMBL6682183 0.75 SLC6A4 (0.51) HTR2ASLC6A4LTA4HTSHRAR

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-20200206233-A1 HETEROCYCLIC COMPOUNDS AS MUTANT IDH INHIBITORS INTEGRAL BIOSCIENCES PRIVATE LIMITED (IN) 2020-07-02 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-20200206233-A1 HETEROCYCLIC COMPOUNDS AS MUTANT IDH INHIBITORS IDH1, IDH2, IDH3A DHODH 24/4885KCNQ3 2922/4885KCNQ2 2309/4885

“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.