SCHEMBL9891446

SCHEMBL9891446

CCCCCc1ccc(NCCCC(=O)OC(C)(C)C)cc1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.47
S1PR1 P21453 4/20 0.46
S1PR3 Q99500 3/20 0.46
S1PR2 O95136 2/20 0.46
SPHK1 Q9NYA1 5/20 0.45
NPC1 O15118 1/20 0.45
HPGD P15428 1/20 0.45
RAB9A P51151 1/20 0.45
THRA P10827 5/20 0.44
THRB P10828 5/20 0.44
SPHK2 Q9NRA0 1/20 0.43
S1PR4 O95977 1/20 0.43
ALDH1A1 P00352 1/20 0.42

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
SCHEMBL9891428 0.87 HDAC8 (0.43) NPC1HPGDRAB9AALDH1A1
SCHEMBL28968727 0.82 FAAH (0.52) FAAHS1PR1S1PR3S1PR2SPHK1
SCHEMBL28968726 0.82 FAAH (0.52) FAAHS1PR1S1PR3S1PR2SPHK1
SCHEMBL28968729 0.82 FAAH (0.52) FAAHS1PR1S1PR3S1PR2SPHK1
SCHEMBL9891433 0.81 HDAC8 (0.42) NPC1RAB9AALDH1A1
SCHEMBL938595 0.80 CA1 (0.47) ALDH1A1
SCHEMBL9891452 0.79 ALDH1A1 (0.48) ALDH1A1
SCHEMBL7414163 0.79 FAAH (0.43) FAAHNPC1HPGDRAB9ATHRB
SCHEMBL9891441 0.79 POLB (0.42) NPC1RAB9AALDH1A1
SCHEMBL9891440 0.79 HDAC8 (0.46) ALDH1A1

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-8921026-B2 Basic compound, chemically amplified resist composition, and patterning process SHIN-ETSU CHEMICAL CO., LTD. (JP) 2014-12-30 US disclosed
US-8921026-B2 Basic compound, chemically amplified resist composition, and patterning process SHIN-ETSU CHEMICAL CO., LTD. (JP) 2014-12-30 US disclosed
EP-2463714-A1 Basic compound, chemically amplified resist composition and patterning process Shin-Etsu Chemical Co., Ltd. (JP) 2012-06-13 EP disclosed
US-20120141938-A1 BASIC COMPOUND, CHEMICALLY AMPLIFIED RESIST COMPOSITION, AND PATTERNING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2012-06-07 US disclosed
US-20120141938-A1 BASIC COMPOUND, CHEMICALLY AMPLIFIED RESIST COMPOSITION, AND PATTERNING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2012-06-07 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-20120141938-A1 BASIC COMPOUND, CHEMICALLY AMPLIFIED RESIST COMPOSITION, AND PATTERNING PROCESS GABRA5, GABRB1, GABBR1 FAAH 1470/4885S1PR1 4253/4885S1PR3 4144/4885

“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.