SCHEMBL12428113

SCHEMBL12428113

OC1CCC(C2CCC(C3CCCCC3)CC2)CC1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.56
ALDH1A1 P00352 1/20 0.53
SLC18A3 Q16572 2/20 0.41
HSD11B1 P28845 2/20 0.32
EPHX2 P34913 1/20 0.32
CES2 O00748 1/20 0.32
CES1 P23141 1/20 0.32
SHBG P04278 1/20 0.31
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CA4 P22748 1/20 0.30
PKM P14618 1/20 0.30
HSD11B2 P80365 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
SCHEMBL17070218 1.00 TSHR (0.56) TSHRALDH1A1SLC18A3HSD11B1EPHX2
SCHEMBL787666 1.00 TSHR (0.56) TSHRALDH1A1SLC18A3HSD11B1EPHX2
SCHEMBL9396681 1.00 TSHR (0.56) TSHRALDH1A1SLC18A3HSD11B1EPHX2
SCHEMBL2450232 0.97 TSHR (0.60) TSHRALDH1A1SLC18A3EPHX2SHBG
SCHEMBL12876612 0.97 TSHR (0.60) TSHRALDH1A1SLC18A3EPHX2SHBG
Biphenyl SCHEMBL6720507 0.90 TSHR (0.71) TSHRALDH1A1SLC18A3HSD11B1CES2
SCHEMBL7077398 0.86 TSHR (0.50) TSHRALDH1A1EPHX2SHBG
SCHEMBL219048 0.86 TSHR (0.50) TSHRALDH1A1EPHX2SHBG
SCHEMBL7799823 0.86 TSHR (0.50) TSHRALDH1A1EPHX2SHBG
SCHEMBL10879751 0.86 TSHR (0.50) TSHRALDH1A1EPHX2SHBG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11781069-B2 Liquid-crystal medium MERCK PATENT GMBH (DE) 2023-10-10 US disclosed
US-11718791-B2 Polymerisable compounds and the use thereof in liquid-crystal displays MERCK PATENT GMBH (DE) 2023-08-08 US disclosed
EP-3095833-B1 NEMATIC LIQUID CRYSTAL COMPOSITION, LIQUID CRYSTAL DISPLAY DEVICE USING SAME DAINIPPON INK & CHEMICALS (JP) 2018-06-27 EP disclosed
EP-2352061-A1 ORIENTATION FILM, LIQUID CRYSTAL DISPLAY HAVING ORIENTATION FILM, AND METHOD FOR FORMING ORIENTATION FILM Sharp Kabushiki Kaisha (JP) 2011-08-03 EP disclosed
EP-1760068-A1 POLYMERIZABLE LIQUID CRYSTAL COMPOUND, LIQUID CRYSTAL COMPOSITION, OPTICALLY ANISOTROPIC MATERIAL AND OPTICAL DEVICE Asahi Glass Company, Limited (JP) 2007-03-07 EP 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-11718791-B2 Polymerisable compounds and the use thereof in liquid-crystal displays VCL, ILK, LCP1 TSHR 4856/4885ALDH1A1 4572/4885SLC18A3 1989/4885

“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.