SCHEMBL9880598

SCHEMBL9880598

CCCc1nccn1C(=O)OCc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.44
L3MBTL1 Q9Y468 4/20 0.43
HTR2C P28335 1/20 0.42
P2RX4 Q99571 2/20 0.42
OPRD1 P41143 1/20 0.42
OPRK1 P41145 1/20 0.42
JMJD6 Q6NYC1 1/20 0.41
TSHR P16473 2/20 0.41
KMT2A Q03164 2/20 0.41
MAPK1 P28482 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
MEN1 O00255 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
P2RX1 P51575 1/20 0.41
P2RX3 P56373 1/20 0.41
CYP3A4 P08684 1/20 0.41
RAB9A P51151 2/20 0.40
CASP3 P42574 1/20 0.40
SENP8 Q96LD8 1/20 0.40
SENP7 Q9BQF6 1/20 0.40

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
SCHEMBL9880599 0.90 CETP (0.44) ALDH1A1L3MBTL1P2RX4TSHRMAPK1
SCHEMBL9880601 0.89 ALDH1A1 (0.46) ALDH1A1L3MBTL1HTR2CP2RX4OPRD1
SCHEMBL9880597 0.83 ALDH1A1 (0.49) ALDH1A1L3MBTL1HTR2CP2RX4OPRD1
SCHEMBL2407748 0.82 LPO (0.44) ALDH1A1KMT2APOLBSMN1; SMN2
SCHEMBL9880596 0.78 ALDH1A1 (0.44) ALDH1A1L3MBTL1HTR2CP2RX4OPRD1
SCHEMBL9880609 0.78 ESR1 (0.47) ALDH1A1L3MBTL1HTR2CP2RX4OPRD1
SCHEMBL5648210 0.77 SMN1; SMN2 (0.45) ALDH1A1L3MBTL1P2RX4OPRD1OPRK1
SCHEMBL7514677 0.74 JMJD6 (0.43) ALDH1A1L3MBTL1HTR2COPRD1OPRK1
SCHEMBL8880228 0.74 OPRD1 (0.41) ALDH1A1L3MBTL1HTR2CP2RX4OPRD1
SCHEMBL19836822 0.73 OPRD1 (0.42) ALDH1A1L3MBTL1P2RX4OPRD1OPRK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8808964-B2 Nitrogen-containing organic compound, chemically amplified positive resist composition, and patterning process SHIN-ETSU CHEMICAL CO., LTD. (JP) 2014-08-19 US disclosed
US-8808964-B2 Nitrogen-containing organic compound, chemically amplified positive resist composition, and patterning process SHIN-ETSU CHEMICAL CO., LTD. (JP) 2014-08-19 US disclosed
US-8778591-B2 2014-07-15 US disclosed
US-8778591-B2 2014-07-15 US disclosed
US-8703384-B2 Positive resist composition and patterning process SHIN-ETSU CHEMICAL CO., LTD. (JP) 2014-04-22 US disclosed
US-8703384-B2 Positive resist composition and patterning process SHIN-ETSU CHEMICAL CO., LTD. (JP) 2014-04-22 US disclosed
US-20120135350-A1 POSITIVE RESIST COMPOSITION AND PATTERNING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2012-05-31 US disclosed
US-20120135350-A1 POSITIVE RESIST COMPOSITION AND PATTERNING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2012-05-31 US disclosed
US-20120052441-A1 NITROGEN-CONTAINING ORGANIC COMPOUND, CHEMICALLY AMPLIFIED POSITIVE RESIST COMPOSITION, AND PATTERNING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2012-03-01 US disclosed
US-20120052441-A1 NITROGEN-CONTAINING ORGANIC COMPOUND, CHEMICALLY AMPLIFIED POSITIVE RESIST COMPOSITION, AND PATTERNING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2012-03-01 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-20120052441-A1 NITROGEN-CONTAINING ORGANIC COMPOUND, CHEMICALLY AMPLIFIED POSITIVE RESIST COMPOSITION, AND PATTERNING PROCESS AHNAK, POLL, NUDC ALDH1A1 3913/4885L3MBTL1 3660/4885HTR2C 2741/4885

“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.