SCHEMBL17469343

SCHEMBL17469343

CCC(C)c1ccc(C(C)C)c(F)c1F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 2/20 0.43
▸ RORC P51449 1/20 0.36
▸ PDE2A O00408 2/20 0.36
▸ EIF4A3 P38919 1/20 0.34
▸ GABRA1 P14867 3/20 0.33
▸ GABRB2 P47870 2/20 0.33
▸ GABRG2 P18507 2/20 0.31
▸ GABRB3 P28472 2/20 0.31
▸ ANPEP P15144 1/20 0.31
▸ DPP4 P27487 1/20 0.31
▸ LMNA P02545 2/20 0.30
▸ SLC6A2 P23975 2/20 0.30
▸ HTR2B P41595 2/20 0.30
▸ TRPA1 O75762 1/20 0.30
▸ CHRM1 P11229 1/20 0.30
▸ ADRA1A P35348 1/20 0.30
▸ FAAH O00519 1/20 0.30
▸ CA1 P00915 1/20 0.30
▸ CA2 P00918 1/20 0.30
▸ CYP1A2 P05177 1/20 0.30

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
SCHEMBL22306685 0.87 TSHR (0.50) TSHRRORCGABRA1GABRB2GABRG2
SCHEMBL19629265 0.84 TSHR (0.42) TSHRRORCPDE2A
SCHEMBL12374304 0.83 TSHR (0.41) TSHRRORCPDE2A
SCHEMBL12173269 0.83 EIF4A3 (0.41) TSHRPDE2AEIF4A3GABRA1GABRB2
SCHEMBL17429416 0.81 TSHR (0.53) TSHRRORCGABRA1GABRB2ADRA1A
SCHEMBL26081489 0.77 TSHR (0.39) TSHRRORCPDE2ALMNASLC6A2
SCHEMBL20622503 0.76 EIF4A3 (0.40) PDE2AEIF4A3GABRA1GABRG2GABRB3
SCHEMBL26860328 0.75 TSHR (0.38) TSHRRORCPDE2A
SCHEMBL20097032 0.75 TSHR (0.38) TSHRRORCPDE2AHTR2C
SCHEMBL27548299 0.75 TSHR (0.38) TSHRRORCPDE2A

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-20160222295-A1 LIQUID CRYSTAL COMPOUND AND LIQUID CRYSTAL COMPOSITION EMPLOYING THE SAME DAXIN MATERIALS CORPORATION (TW) 2016-08-04 — — US disclosed
US-20160024384-A1 LIQUID-CRYSTAL COMPOUND, LIQUID-CRYSTAL COMPOSITION AND LIQUID-CRYSTAL DISPLAY DEVICE DAXIN MATERIALS CORPORATION (TW) 2016-01-28 — — 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-20160222295-A1 LIQUID CRYSTAL COMPOUND AND LIQUID CRYSTAL COMPOSITION EMPLOYING THE SAME ZYX, MLX, NPM1 TSHR 3085/4885RORC 3854/4885PDE2A 3367/4885

“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.

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