SCHEMBL9880596

SCHEMBL9880596

CC(C)c1nccn1C(=O)OCc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.44
MAPT P10636 1/20 0.43
HTR2C P28335 1/20 0.42
P2RX4 Q99571 2/20 0.42
POLB P06746 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
OPRD1 P41143 1/20 0.42
OPRK1 P41145 1/20 0.42
JMJD6 Q6NYC1 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
P2RX1 P51575 1/20 0.41
P2RX3 P56373 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.40
RAB9A P51151 2/20 0.40
GRIN2B Q13224 2/20 0.40
ATM Q13315 1/20 0.40
TSHR P16473 1/20 0.40
CASP3 P42574 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
SCHEMBL9880605 0.86 P2RX4 (0.44) ALDH1A1MAPTP2RX4POLBSMN1; SMN2
SCHEMBL8880228 0.84 OPRD1 (0.41) ALDH1A1MAPTHTR2CP2RX4SMN1; SMN2
SCHEMBL9880597 0.83 ALDH1A1 (0.49) ALDH1A1HTR2CP2RX4POLBSMN1; SMN2
SCHEMBL697760 0.82 L3MBTL1 (0.38) ALDH1A1MAPTHTR2CP2RX4OPRD1
SCHEMBL9880601 0.81 ALDH1A1 (0.46) ALDH1A1HTR2CP2RX4POLBSMN1; SMN2
SCHEMBL9880598 0.78 ALDH1A1 (0.44) ALDH1A1HTR2CP2RX4POLBSMN1; SMN2
SCHEMBL9880609 0.78 ESR1 (0.47) ALDH1A1HTR2CP2RX4POLBSMN1; SMN2
SCHEMBL704575 0.77 FFAR1 (0.38) L3MBTL1RAB9ANPC1
SCHEMBL5648210 0.77 SMN1; SMN2 (0.45) ALDH1A1MAPTP2RX4POLBSMN1; SMN2
SCHEMBL703335 0.75 GRIN2B (0.42) MAPTPOLBMEN1KMT2ANPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200392138-A1 PESTICIDALLY ACTIVE MESOIONIC HETEROCYCLIC COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2020-12-17 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-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 (2 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-20200392138-A1 PESTICIDALLY ACTIVE MESOIONIC HETEROCYCLIC COMPOUNDS DDT, ACHE, MNS1 ALDH1A1 891/4885MAPT 391/4885HTR2C 659/4885
US-20120052441-A1 NITROGEN-CONTAINING ORGANIC COMPOUND, CHEMICALLY AMPLIFIED POSITIVE RESIST COMPOSITION, AND PATTERNING PROCESS AHNAK, POLL, NUDC ALDH1A1 3913/4885MAPT 2959/4885HTR2C 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.