SCHEMBL19937892

SCHEMBL19937892

CCC(CCO)c1ccc(C(C)(C)C)cc1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GRIA4 P48058 4/20 0.49
LMNA P02545 2/20 0.40
HDAC8 Q9BY41 2/20 0.40
HDAC6 Q9UBN7 2/20 0.40
TYR P14679 1/20 0.39
ESR1 P03372 1/20 0.38
ESR2 Q92731 1/20 0.38
ADRA2A P08913 1/20 0.37
ADRA2B P18089 1/20 0.37
ADRA2C P18825 1/20 0.37
TSHR P16473 1/20 0.35
HDAC3 O15379 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC2 Q92769 1/20 0.35
FFAR1 O14842 1/20 0.35
NR1H4 Q96RI1 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
SCHEMBL19937891 0.90 GRIA4 (0.43) GRIA4LMNATYRTSHRHDAC1
SCHEMBL18253211 0.85 GRIA4 (0.51) GRIA4LMNAHDAC8HDAC6TYR
SCHEMBL5877385 0.81 GRIA4 (0.51) GRIA4LMNAHDAC8HDAC6TYR
SCHEMBL1772745 0.78 LMNA (0.49) GRIA4LMNATYRTSHRHDAC1
SCHEMBL1834790 0.77 ESR1 (0.40) HDAC8HDAC6ESR1ESR2ADRA2A
SCHEMBL1959897 0.77 ESR1 (0.40) HDAC8HDAC6ESR1ESR2ADRA2A
SCHEMBL1835662 0.77 ESR1 (0.40) HDAC8HDAC6ESR1ESR2ADRA2A
SCHEMBL3187891 0.77 LMNA (0.45) GRIA4LMNATYRADRA2AADRA2C
SCHEMBL1660005 0.77 GRIA4 (0.49) GRIA4LMNATYRTSHRFFAR1
SCHEMBL13210867 0.77 HDAC8 (0.42) HDAC8HDAC6ESR1ESR2ADRA2A

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-20180065925-A1 SALT AND PHOTORESIST COMPOSITION CONTAINING THE SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2018-03-08 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-20180065925-A1 SALT AND PHOTORESIST COMPOSITION CONTAINING THE SAME C1S, C1R, CRY1 GRIA4 1342/4885LMNA 2438/4885HDAC8 3916/4885

“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.