SCHEMBL9865740

SCHEMBL9865740

O=COCC(O)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
LMNA P02545 3/20 0.47
AOC3 Q16853 4/20 0.42
BCAT2 O15382 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
CYP2D6 P10635 2/20 0.40
RIPK1 Q13546 1/20 0.40
CYP1A2 P05177 2/20 0.40
ALDH1A1 P00352 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
PKM P14618 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
MAPK1 P28482 1/20 0.39

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
SCHEMBL2927957 0.81 CA12 (0.42) KDM4EL3MBTL1SMN1; SMN2CYP2D6CYP1A2
SCHEMBL27995093 0.81 KDM4E (0.47) KDM4EL3MBTL1LMNAAOC3BCAT2
SCHEMBL4964891 0.78 CYP2D6 (0.37) KDM4EL3MBTL1LMNASMN1; SMN2CYP2D6
SCHEMBL4426990 0.76 LMNA (0.56) KDM4EL3MBTL1LMNAAOC3BCAT2
SCHEMBL25941873 0.76 SCN4A (0.55)
SCHEMBL424240 0.76 TAAR1 (0.47) AOC3RIPK1
SCHEMBL6394437 0.76 TSHR (0.39) KDM4EL3MBTL1LMNASMN1; SMN2CYP2D6
SCHEMBL5601501 0.74 ALDH1A1 (0.49) KDM4EL3MBTL1LMNASMN1; SMN2RAB9A
SCHEMBL15483701 0.74 LMNA (0.54) KDM4EL3MBTL1LMNAAOC3BCAT2
SCHEMBL634044 0.73 KDM4E (0.52) KDM4EL3MBTL1LMNAAOC3BCAT2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-3991042-A Basic azo dyestuffs containing a benzthiazole and a tetrahydroquinoline nucleus BAYER AKTIENGESELLSCHAFT (DT) 1976-11-09 US claimed
US-3948877-A POLYACRYLONITRILE, ACID MODIFIED POLYESTERS OR POLYAMIDES BAYER AKTIENGESELLSCHAFT (DT) 1976-04-06 US claimed
US-10786530-B2 Antimicrobial cationic polycarbonates INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2020-09-29 US disclosed
US-10183099-B2 Antimicrobial and antifouling catechol-containing polycarbonates for medical applications INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2019-01-22 US disclosed
US-9999633-B2 Antimicrobial cationic polycarbonates INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2018-06-19 US disclosed
US-9987369-B2 Vitamin functionalized gel-forming block copolymers for biomedical applications INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2018-06-05 US disclosed
US-9637592-B2 Vitamin functionalized gel-forming block copolymers for biomedical applications INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2017-05-02 US disclosed
US-9631050-B2 Antimicrobial cationic polycarbonates INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2017-04-25 US disclosed
US-5011938-A Antimicrobials ELI LILLY AND COMPANY (US) 1991-04-30 US disclosed
US-4940718-A BACTERICIDES ELI LILLY AND COMPANY (US) 1990-07-10 US disclosed
US-4902707-A Bicyclic pyrazolidinones, compositions and use ELI LILLY AND COMPANY (US) 1990-02-20 US disclosed
US-4826992-A MICROBIOCIDE INTERMEDIATES ELI LILLY AND COMPANY (US) 1989-05-02 US disclosed
EP-0310214-A2 7-Substituted bicyclic pyrazolidinones ELI LILLY AND COMPANY (US) 1989-04-05 EP disclosed
US-4795815-A BACTERICIDES, MICROBIOCIDES ELI LILLY AND COMPANY (US) 1989-01-03 US disclosed
US-4716232-A 1-(vinyl phosphonate adduct) pyrazolidinones ELI LILLY AND COMPANY (US) 1987-12-29 US disclosed
EP-0203723-A1 2,3-(dihydro)bicyclic pyrazolidinones ELI LILLY AND COMPANY (US) 1986-12-03 EP disclosed
EP-0203722-A1 Bicyclic pyrazolidinones ELI LILLY AND COMPANY (US) 1986-12-03 EP disclosed
EP-0202794-A1 7-Substituted-2,3-(Dihydro) bicyclic pyrazolidinones ELI LILLY AND COMPANY (US) 1986-11-26 EP disclosed
EP-0202046-A1 7-Substituted bicyclic pyrazolidinones ELI LILLY AND COMPANY (US) 1986-11-20 EP 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-10786530-B2 Antimicrobial cationic polycarbonates VDR, GC, CYP24A1 KDM4E 2314/4885L3MBTL1 1684/4885LMNA 2404/4885

“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.