SCHEMBL3601971

SCHEMBL3601971

[O]C(=O)c1ccc2cc3ccccc3cc2c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.61
CES1 P23141 1/20 0.61
HPGD P15428 4/20 0.52
KDM4E B2RXH2 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
MEN1 O00255 2/20 0.52
ALDH1A1 P00352 2/20 0.52
MAPT P10636 2/20 0.52
KMT2A Q03164 2/20 0.52
EGFR P00533 1/20 0.52
TP53 P04637 1/20 0.52
CYP3A4 P08684 1/20 0.52
PKM P14618 1/20 0.52
ALOX15 P16050 1/20 0.52
ALOX12 P18054 1/20 0.52
JAK1 P23458 1/20 0.52
MAPK1 P28482 1/20 0.52
HSD17B10 Q99714 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
PTPN1 P18031 1/20 0.52

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
SCHEMBL196520 0.93 CES2 (0.71) CES2CES1HPGDKDM4ESMN1; SMN2
Hydrogen Sulfide SCHEMBL29219474 0.91 CES2 (0.68) CES2CES1HPGDKDM4ESMN1; SMN2
SCHEMBL13475578 0.84 CES2 (0.64) CES2CES1HPGDKDM4ESMN1; SMN2
SCHEMBL29109649 0.84 CES2 (0.64) CES2CES1HPGDKDM4ESMN1; SMN2
SCHEMBL1246801 0.82 CES2 (0.61) CES2CES1HPGDKDM4ESMN1; SMN2
SCHEMBL6947709 0.82 CES2 (0.61) CES2CES1HPGDKDM4ESMN1; SMN2
SCHEMBL29664937 0.82 CES2 (0.61) CES2CES1HPGDKDM4ESMN1; SMN2
SCHEMBL27658812 0.82 CES2 (0.61) CES2CES1HPGDKDM4ESMN1; SMN2
SCHEMBL13475579 0.82 CES2 (0.68) CES2CES1HPGDKDM4ESMN1; SMN2
SCHEMBL21817642 0.81 ALDH1A1 (0.70) CES2CES1HPGDKDM4EMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112839988-B Nucleating agent, synthetic resin composition containing same, and molded article thereof 株式会社ADEKA 2023-06-06 CN disclosed
US-20210395209-A1 NUCLEATING AGENT, SYNTHETIC-RESIN COMPOSITION CONTAINING SAME, AND MOLDED OBJECT THEREOF ADEKA CORPORATION (JP) 2021-12-23 US disclosed
EP-3858909-A1 NUCLEATING AGENT, SYNTHETIC-RESIN COMPOSITION CONTAINING SAME, AND MOLDED OBJECT THEREOF ADEKA CORPORATION (JP) 2021-08-04 EP disclosed
CN-112839988-A Nucleating agent, synthetic resin composition containing same, and molded article thereof 株式会社ADEKA 2021-05-25 CN disclosed
WO-2020067144-A1 NUCLEATING AGNET, SYNTHETIC-RESIN COMPOSITION CONTAINING SAME, AND MOLDED OBJECT THEREOF 株式会社ADEKA 2020-04-02 WO disclosed
US-20100076005-A1 ISOCARBOSTYRIL ALKALOID DERIVATIVES HAVING ANTI-PROLIFERATIVE AND ANTI-MIGRATORY ACTIVITIES UNIBIOSCREEN SA (BE) 2010-03-25 US disclosed
EP-2089395-A2 NEW ISOCARBOSTYRIL ALKALOID DERIVATIVES HAVING ANTI-PROLIFERATIVE AND ANTI-MIGRATORY ACTIVITIES UnibioScreen S.A. (BE) 2009-08-19 EP disclosed
WO-2008043846-A2 NEW ISOCARBOSTYRIL ALKALOID DERIVATIVES HAVING ANTI-PROLIFERATIVE AND ANTI-MIGRATORY ACTIVITIES UNIBIOSCREEN SA (BE) 2008-04-17 WO 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-20210395209-A1 NUCLEATING AGENT, SYNTHETIC-RESIN COMPOSITION CONTAINING SAME, AND MOLDED OBJECT THEREOF NOC2L, RIF1, NAP1L1 CES2 4250/4885CES1 4213/4885HPGD 3069/4885
US-20100076005-A1 ISOCARBOSTYRIL ALKALOID DERIVATIVES HAVING ANTI-PROLIFERATIVE AND ANTI-MIGRATORY ACTIVITIES MIF, IMPDH1, IMPDH2 CES2 746/4885CES1 2143/4885HPGD 979/4885

“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.