SCHEMBL23138363

SCHEMBL23138363

Cc1cc(C(=O)O)n(CC2CC2)n1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.45
CRHR1 P34998 5/20 0.44
LMNA P02545 3/20 0.44
ALDH1A1 P00352 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
P2RY14 Q15391 3/20 0.41
SMYD3 Q9H7B4 2/20 0.41
HTT P42858 1/20 0.40
KCNJ6 P48051 1/20 0.40
KCNJ5 P48544 1/20 0.40
KCNJ3 P48549 1/20 0.40
APAF1 O14727 1/20 0.40
POLB P06746 1/20 0.40
KDM4E B2RXH2 1/20 0.40
CNR1 P21554 1/20 0.39
CNR2 P34972 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
SCHEMBL24757773 0.92 P2RY14 (0.48) NOTUMCRHR1LMNAP2RY14SMYD3
SCHEMBL3044615 0.86 CRHR1 (0.46) NOTUMCRHR1LMNAALDH1A1L3MBTL1
SCHEMBL9682409 0.82 LMNA (0.47) CRHR1LMNAALDH1A1L3MBTL1POLB
SCHEMBL3761678 0.80 GRN (0.58) NOTUMALDH1A1P2RY14KDM4ECNR1
SCHEMBL23138364 0.79 CRHR1 (0.39) NOTUMCRHR1LMNAALDH1A1L3MBTL1
SCHEMBL710008 0.78 MAPT (0.56) LMNAALDH1A1SMYD3HTTAPAF1
SCHEMBL31200197 0.77 CRHR1 (0.52) NOTUMCRHR1LMNAALDH1A1HTT
SCHEMBL24757774 0.77 LMNA (0.45) CRHR1LMNAALDH1A1P2RY14KCNJ6
SCHEMBL14097078 0.76 LMNA (0.68) LMNAALDH1A1L3MBTL1HTTAPAF1
Hydrochloric Acid SCHEMBL8048126 0.76 MAPT (0.55) LMNAALDH1A1SMYD3HTTAPAF1

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
CN-112351778-B Fused tricyclic heterocycles and therapeutic uses thereof 江苏恒瑞医药股份有限公司 2023-04-04 CN disclosed
US-11535633-B2 Fused tricyclic heterocycle compounds and therapeutic uses thereof JIANGSU HENGRUI MEDICINE CO., LTD. (CN) 2022-12-27 US disclosed
US-20220389025-A1 HETEROCYCLIC AMIDE COMPOUND, PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, AND PREPARATION METHOD THEREFOR AND USE THEREOF SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) 2022-12-08 US disclosed
US-20210300944-A1 FUSED TRICYCLIC HETEROCYCLE COMPOUNDS AND THERAPEUTIC USES THEREOF JIANGSU HENGRUI MEDICINE CO., LTD. (CN) 2021-09-30 US disclosed
WO-2021052501-A1 HETEROCYCLIC AMIDE COMPOUND, PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, AND PREPARATION METHOD THEREFOR AND USE THEREOF 中国科学院上海药物研究所 2021-03-25 WO disclosed
CN-112351778-A Fused tricyclic heterocycles and therapeutic uses thereof 江苏恒瑞医药股份有限公司 2021-02-09 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 (3 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-11535633-B2 Fused tricyclic heterocycle compounds and therapeutic uses thereof STING1, CGAS, MAVS NOTUM 4336/4885CRHR1 2850/4885LMNA 139/4885
US-20220389025-A1 HETEROCYCLIC AMIDE COMPOUND, PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, AND PREPARATION METHOD THEREFOR AND USE THEREOF STING1, CGAS, MYD88 NOTUM 56/4885CRHR1 2008/4885LMNA 3488/4885
US-20210300944-A1 FUSED TRICYCLIC HETEROCYCLE COMPOUNDS AND THERAPEUTIC USES THEREOF STING1, CGAS, MAVS NOTUM 4336/4885CRHR1 2850/4885LMNA 139/4885

“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.