SCHEMBL9735363

SCHEMBL9735363

CCCSCC(C)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACE2 Q9BYF1 1/20 0.39
TDP1 Q9NUW8 2/20 0.39
APEX1 P27695 1/20 0.39
GABRR1 P24046 2/20 0.38
CYP1A2 P05177 1/20 0.38
METAP2 P50579 2/20 0.37
METAP1 P53582 2/20 0.37
CHRM1 P11229 1/20 0.36
AKR1A1 P14550 1/20 0.36
CHRM3 P20309 1/20 0.36
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
ADRA1A P35348 1/20 0.36
HRH1 P35367 1/20 0.36
DRD3 P35462 1/20 0.36
SLC6A3 Q01959 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC2 Q92769 1/20 0.36
ARG1 P05089 1/20 0.34
ARG2 P78540 1/20 0.34

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
SCHEMBL17530133 0.88 GABRR1 (0.42) APEX1GABRR1CYP1A2ARG1ARG2
SCHEMBL9734941 0.87 ACE2 (0.46) ACE2APEX1NOS2
SCHEMBL7167169 0.85 MAPT (0.52) ACE2
SCHEMBL10639673 0.84 MAPT (0.55) ACE2
SCHEMBL11089311 0.84 MAPT (0.55) ACE2
SCHEMBL9106808 0.84 MAPT (0.55) ACE2
SCHEMBL9355083 0.84 MAPT (0.55) ACE2
SCHEMBL9851243 0.84 MAPT (0.55) ACE2
SCHEMBL7845774 0.83 GABRR1 (0.46) ACE2APEX1GABRR1CYP1A2FOLH1
SCHEMBL12344066 0.82 TDP1 (0.39) TDP1APEX1GABRR1CYP1A2ARG1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8815478-B2 Colored curable composition, resist liquid, ink for inkjet printing, color filter, method of producing color filter, solid-state image sensor, liquid crystal display, organic EL display, image display device and colorant compound FUJIFILM CORPORATION (JP) 2014-08-26 US disclosed
US-20120264039-A1 COLORED CURABLE COMPOSITION, RESIST LIQUID, INK FOR INKJET PRINTING, COLOR FILTER, METHOD OF PRODUCING COLOR FILTER, SOLID-STATE IMAGE SENSOR, LIQUID CRYSTAL DISPLAY, ORGANIC EL DISPLAY, IMAGE DISPLAY DEVICE AND COLORANT COMPOUND FUJIFILM CORPORATION (JP) 2012-10-18 US disclosed
US-5098599-A Aromatic esters with sulfide groups as liquid crystals MITSUBISHI RAYON COMPANY LTD. (JP) 1992-03-24 US disclosed
EP-0354355-A1 Optically active compound and liquid crystal composition MITSUBISHI RAYON CO., LTD. (JP) 1990-02-14 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-20120264039-A1 COLORED CURABLE COMPOSITION, RESIST LIQUID, INK FOR INKJET PRINTING, COLOR FILTER, METHOD OF PRODUCING COLOR FILTER, SOLID-STATE IMAGE SENSOR, LIQUID CRYSTAL DISPLAY, ORGANIC EL DISPLAY, IMAGE DISPLAY DEVICE AND COLORANT COMPOUND CDYL, RET, NLRP1 ACE2 3333/4885TDP1 2465/4885APEX1 4086/4885

“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.