SCHEMBL21261241

SCHEMBL21261241

C#CCOc1c(C)occc1=O

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.56
▸ GAA P10253 2/20 0.56
▸ KMT2A Q03164 1/20 0.56
▸ ALDH1A1 P00352 2/20 0.50
▸ GSTP1 P09211 1/20 0.42
▸ KDM4E B2RXH2 2/20 0.42
▸ LDHA P00338 11/20 0.41
▸ GLA P06280 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ CA12 O43570 1/20 0.40
▸ CA4 P22748 1/20 0.40
▸ CA9 Q16790 1/20 0.40
▸ SMN1; SMN2 Q16637 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
SCHEMBL21261293 0.81 KMT2A (0.38) LMNAGAAKMT2AALDH1A1GSTP1
SCHEMBL21261263 0.80 KMT2A (0.40) LMNAGAAKMT2AALDH1A1GSTP1
SCHEMBL1129788 0.79 LMNA (0.63) LMNAGAAKMT2AALDH1A1KDM4E
SCHEMBL21261302 0.76 LMNA (0.59) LMNAGAAKMT2AALDH1A1KDM4E
SCHEMBL92986 0.76 LMNA (0.59) LMNAGAAKMT2AALDH1A1KDM4E
SCHEMBL21261338 0.75 LMNA (0.51) LMNAGAAKMT2AALDH1A1KDM4E
SCHEMBL21261296 0.74 LMNA (0.47) LMNAGAAKMT2AALDH1A1KDM4E
SCHEMBL2466435 0.74 LMNA (0.56) LMNAGAAKMT2AALDH1A1KDM4E
SCHEMBL9263666 0.73 LMNA (0.56) LMNAGAAKMT2AALDH1A1KDM4E
SCHEMBL9264609 0.73 LMNA (0.56) LMNAGAAKMT2AALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11376228-B2 Polysubstituted benzene, preparation method thereof, and method of using the same GENIFARM LABORATORIES INC (CN) 2022-07-05 — — US disclosed
CN-110143858-B Polysubstituted benzene compound with bioactivity and preparation method and application thereof 华南理工大学 2022-04-29 — — CN disclosed
EP-3753931-A1 MULTI-SUBSTITUTED BENZENE COMPOUND HAVING BIOLOGICAL ACTIVITY, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF Genifarm Laboratories Inc (CN) 2020-12-23 — — EP disclosed
US-20200361893-A1 POLYSUBSTITUTED BENZENE, PREPARATION METHOD THEREOF, AND METHOD OF USING THE SAME SOUTH CHINA UNIVERSITY OF TECHNOLOGY (CN) 2020-11-19 — — US disclosed
WO-2019153954-A1 MULTI-SUBSTITUTED BENZENE COMPOUND HAVING BIOLOGICAL ACTIVITY, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF 广州自远生物科技有限公司 2019-08-15 — — WO disclosed
WO-2019153954-A1 MULTI-SUBSTITUTED BENZENE COMPOUND HAVING BIOLOGICAL ACTIVITY, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF 广州自远生物科技有限公司 2019-08-15 — — 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-11376228-B2 Polysubstituted benzene, preparation method thereof, and method of using the same CBR1, CBR3, C1S LMNA 1509/4885GAA 4258/4885KMT2A 2516/4885
US-20200361893-A1 POLYSUBSTITUTED BENZENE, PREPARATION METHOD THEREOF, AND METHOD OF USING THE SAME CBR1, CBR3, C1S LMNA 1509/4885GAA 4258/4885KMT2A 2516/4885

“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