SCHEMBL10035138

SCHEMBL10035138

Cc1ccc(C(F)(F)CF)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.46
CA2 P00918 2/20 0.43
CA1 P00915 1/20 0.43
CA5A P35218 1/20 0.43
CA9 Q16790 1/20 0.43
ACHE P22303 3/20 0.40
TDP1 Q9NUW8 1/20 0.40
MLYCD O95822 1/20 0.39
MAPT P10636 2/20 0.37
BCHE P06276 1/20 0.36
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
KIF11 P52732 5/20 0.34
HTR2A P28223 1/20 0.33
SLC6A4 P31645 1/20 0.33
KCNH2 Q12809 1/20 0.33
IDO1 P14902 1/20 0.33
CYP19A1 P11511 1/20 0.33
CYP1A1 P04798 1/20 0.33
CYP1B1 Q16678 1/20 0.33

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
SCHEMBL7670356 0.87 TAAR1 (0.33) TSHRKIF11IDO1CYP19A1
SCHEMBL8153257 0.83 NPC1 (0.59) MAPTNPC1RAB9ACYP1A1CYP1B1
SCHEMBL19426802 0.80 TSHR (0.46) TSHRCA2CA1CA5ACA9
SCHEMBL8257138 0.78 CA1 (0.47) TSHRCA2CA1CA5ACA9
SCHEMBL14621176 0.78 TSHR (0.44) TSHRCA2CA1CA5ACA9
SCHEMBL12318016 0.77 TSHR (0.48) TSHRCA2CA1CA5ACA9
SCHEMBL9863741 0.76 MLYCD (0.46) TSHRCA2CA1CA5ACA9
SCHEMBL16301267 0.76 TSHR (0.42) TSHRCA2CA1CA5ACA9
SCHEMBL12243317 0.76 TP53 (0.39) TSHRCA2TDP1NPC1RAB9A
SCHEMBL10085717 0.76 TSHR (0.42) TSHRCA2CA1CA5ACA9

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
US-8114310-B2 Liquid-crystal display MERCK PATENT GMBH (DE) 2012-02-14 US disclosed
US-7807068-B2 reacting 4-halo-2,6-difluorophenol with protecting group, dehalogenating to form protected phenol ether group, reacting with boronic acid/ester, coupling in presence of catalyst, deblocking, etherifying, esterifying; for optical, electro-optical and electronic use, liquid-crystal media and displays MERCK PATENT GESELLSCHAFT (DE) 2010-10-05 US disclosed
US-7731865-B2 Liquid-crystal medium MERCK PATENT GMBH (DE) 2010-06-08 US disclosed
US-20090324853-A1 LIQUID-CRYSTAL DISPLAY MERCK PATENT GMBH (DE) 2009-12-31 US disclosed
US-20090141215-A1 POLYMERIZABLE COMPOUNDS MERCK PATENT GESELLSCHAFT (DE) 2009-06-04 US disclosed
US-20090103011-A1 LIQUID-CRYSTAL MEDIUM MERCK PATENT GESELLSCHAFT (DE) 2009-04-23 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-20090141215-A1 POLYMERIZABLE COMPOUNDS VCL, LCP1, LPXN TSHR 4880/4885CA2 1184/4885CA1 634/4885

“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.