SCHEMBL343871

SCHEMBL343871

CC(C)OC(=O)c1cc(C(F)(F)F)ccc1-c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ BACE1 P56817 1/20 0.48
▸ PTGDR2 Q9Y5Y4 3/20 0.47
▸ PDCD1 Q15116 1/20 0.47
▸ CD274 Q9NZQ7 1/20 0.47
▸ CES2 O00748 1/20 0.45
▸ TACR1 P25103 2/20 0.44
▸ AKR1C3 P42330 4/20 0.44
▸ AKR1C2 P52895 4/20 0.44
▸ PDK2 Q15119 1/20 0.43
▸ SCN1A P35498 1/20 0.42
▸ SCN2A Q99250 1/20 0.42
▸ SCN3A Q9NY46 1/20 0.42
▸ NPC1 O15118 1/20 0.42
▸ PTPN1 P18031 1/20 0.41
▸ FABP4 P15090 1/20 0.41
▸ RXRA P19793 1/20 0.41
▸ RXRB P28702 1/20 0.41
▸ RXRG P48443 1/20 0.41
▸ CYP2C8 P10632 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
SCHEMBL343521 0.83 PDK2 (0.51) BACE1PDCD1CD274TACR1PDK2
SCHEMBL343208 0.79 HSD17B10 (0.53) BACE1PTGDR2CES2TACR1FABP4
SCHEMBL2367516 0.79 BACE1 (0.55) BACE1PTGDR2AKR1C3AKR1C2FABP4
SCHEMBL2302131 0.79 CES2 (0.47) CES2AKR1C3AKR1C2PDK2
SCHEMBL28011915 0.79 CA12 (0.64) CES2
Hydrochloric Acid SCHEMBL7763180 0.78 HSD17B10 (0.51) BACE1PTGDR2CES2TACR1FABP4
SCHEMBL27636054 0.78 SCN1A (0.62) PDCD1CD274PDK2SCN1ASCN2A
SCHEMBL28662231 0.77 BCAT2 (0.56) BACE1PTGDR2CES2TACR1FABP4
SCHEMBL6639339 0.77 PTGDR2 (0.50) BACE1PTGDR2CES2TACR1FABP4
SCHEMBL18997885 0.77 PDK2 (0.50) BACE1PDCD1CD274TACR1PDK2

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-20120016152-A1 Process for the preparation of 4`-haloalkylbiphenyl-2-carboxylic acids SALTIGO GMBH (DE) 2012-01-19 — — 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-20120016152-A1 Process for the preparation of 4`-haloalkylbiphenyl-2-carboxylic acids CYP4B1, HACL2, UGT1A4 BACE1 4371/4885PTGDR2 2948/4885PDCD1 4778/4885

“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.

Send feedback