SCHEMBL20126280

SCHEMBL20126280

CCC1CCC(C(=O)Oc2ccc(C3CC(C)(C)N(C)C(C)(C)C3)cc2)CC1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.41
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
F2 P00734 1/20 0.40
ELANE P08246 2/20 0.39
HPGD P15428 2/20 0.36
POLB P06746 1/20 0.34
ALDH1A1 P00352 1/20 0.34
ACACB O00763 2/20 0.33
CA2 P00918 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
SCHEMBL11406644 0.84 HTT (0.51) HTTKMT2ASMN1; SMN2TDP1F2
SCHEMBL20126281 0.83 CA2 (0.35) HTTKMT2ASMN1; SMN2TDP1F2
SCHEMBL16579166 0.83 HTT (0.47) HTTKMT2ASMN1; SMN2TDP1F2
SCHEMBL12154218 0.81 KMT2A (0.61) HTTKMT2ASMN1; SMN2TDP1F2
SCHEMBL20045170 0.81 KMT2A (0.61) HTTKMT2ASMN1; SMN2TDP1F2
SCHEMBL11298775 0.80 KMT2A (0.51) HTTKMT2ASMN1; SMN2TDP1F2
SCHEMBL27348977 0.80 KMT2A (0.48) HTTKMT2ASMN1; SMN2TDP1F2
SCHEMBL11416031 0.79 HTT (0.46) HTTKMT2ASMN1; SMN2TDP1F2
SCHEMBL11406313 0.79 HTT (0.46) HTTKMT2ASMN1; SMN2TDP1F2
SCHEMBL16579168 0.79 HTT (0.43) HTTKMT2ASMN1; SMN2TDP1F2

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-20180127654-A1 PIPERIDINE DERIVATIVE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC CORPORATION (JP) 2018-05-10 US disclosed
US-20180127654-A1 PIPERIDINE DERIVATIVE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC CORPORATION (JP) 2018-05-10 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-20180127654-A1 PIPERIDINE DERIVATIVE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE DRD1, PLD1, DRD2 HTT 2146/4885KMT2A 2766/4885SMN1; SMN2 4549/4885

“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.