SCHEMBL19690686

SCHEMBL19690686

CCc1ccc2c(c1CC)C(c1cccc([N+](=O)[O-])c1)=C(c1ccccc1)C2(C(=O)O)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 6/20 0.40
▸ ALDH1A1 P00352 4/20 0.38
▸ MAPT P10636 2/20 0.38
▸ GSK3A P49840 2/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ AKR1C3 P42330 3/20 0.37
▸ AKR1C2 P52895 3/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ CYP2D6 P10635 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36

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
SCHEMBL18663372 0.85 MAPT (0.39) GSK3BALDH1A1MAPTGSK3AMAPK1
SCHEMBL18663361 0.84 ADORA3 (0.33) ALDH1A1MAPTNPSR1SMN1; SMN2
SCHEMBL28180355 0.77 ALDH1A1 (0.50) GSK3BALDH1A1MAPTGSK3ANPSR1
SCHEMBL19690388 0.74 ADORA3 (0.32) ALDH1A1MAPTNPSR1SMN1; SMN2
SCHEMBL19690414 0.68 PDK2 (0.34) —
SCHEMBL19690581 0.67 MTNR1A (0.36) ALDH1A1MAPTAKR1C3AKR1C2SMN1; SMN2
SCHEMBL19690582 0.66 CCNC (0.34) ALDH1A1MAPTAKR1C3AKR1C2CYP1A2
SCHEMBL11794814 0.66 SLC6A4 (0.49) GSK3BALDH1A1MAPTAKR1C3AKR1C2
Iodide SCHEMBL27148619 0.64 TSHR (0.64) ALDH1A1MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL29526232 0.63 TSHR (0.67) ALDH1A1MAPTSMN1; SMN2MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190169328-A1 OLEFIN POLYMERIZATION CATALYST CARRIER, SOLID CATALYST COMPONENT AND USE THEREOF RENQIU LIHE TECH LTD (CN) 2019-06-06 — — US disclosed
US-20170355792-A1 OLEFIN POLYMERIZATION CATALYST CARRIER, SOLID CATALYST COMPONENT AND USE THEREOF RENQIU LIHE TECH LTD (CN) 2017-12-14 — — US disclosed
CN-104109213-B Catalytic component and its catalyst for olefinic polymerization 北京利和知信科技有限公司 2017-11-07 — — CN 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-20190169328-A1 OLEFIN POLYMERIZATION CATALYST CARRIER, SOLID CATALYST COMPONENT AND USE THEREOF COG2, GTF2I, POF1B GSK3B 3153/4885ALDH1A1 2055/4885MAPT 2703/4885
US-20170355792-A1 OLEFIN POLYMERIZATION CATALYST CARRIER, SOLID CATALYST COMPONENT AND USE THEREOF COG2, COG7, COG4 GSK3B 2773/4885ALDH1A1 2496/4885MAPT 3639/4885

“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.

Send feedback