SCHEMBL220452

SCHEMBL220452

C=C(C)COc1ccc(Cl)cc1C(C)=O

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.59
RAB9A P51151 1/20 0.59
PTGDR2 Q9Y5Y4 3/20 0.50
MAPT P10636 2/20 0.50
HTR2B P41595 2/20 0.49
HTR2A P28223 1/20 0.49
HTR2C P28335 1/20 0.49
TSHR P16473 2/20 0.49
GAA P10253 1/20 0.49
KMT2A Q03164 2/20 0.48
TDP1 Q9NUW8 2/20 0.47
MEN1 O00255 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.43
PTGDR Q13258 1/20 0.43
ALDH1A1 P00352 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43
HIF1A Q16665 1/20 0.43

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
SCHEMBL22695293 0.87 HTR2B (0.46) NPC1RAB9APTGDR2MAPTHTR2B
SCHEMBL9192117 0.87 HTR2B (0.49) NPC1RAB9APTGDR2MAPTHTR2B
SCHEMBL12035517 0.87 RAB9A (0.49) NPC1RAB9AMAPTHTR2BHTR2A
SCHEMBL3691062 0.86 PTGDR2 (0.68) NPC1RAB9APTGDR2MAPTTSHR
SCHEMBL11280539 0.83 NPC1 (0.61) NPC1RAB9APTGDR2MAPTTSHR
SCHEMBL22688831 0.81 PTGDR2 (0.75) NPC1RAB9APTGDR2TSHRKMT2A
SCHEMBL13446708 0.81 NPC1 (0.54) NPC1RAB9APTGDR2MAPTTSHR
SCHEMBL22591956 0.80 TDP1 (0.62) MAPTHTR2BHTR2AHTR2CTSHR
SCHEMBL1714092 0.80 NPC1 (0.54) NPC1RAB9APTGDR2MAPTTSHR
SCHEMBL11155751 0.80 NPC1 (0.54) NPC1RAB9APTGDR2MAPTTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3974434-B1 MACROLIDE DERIVATIVES, PREPARATION METHOD AND APPLICATION THEREOF ZHEJIANG HISUN PHARM CO LTD (CN) 2025-11-19 EP disclosed
US-12410191-B2 Macrolide derivatives, preparation method and application thereof ZHEJIANG HISUN PHARMACEUTICAL CO., LTD. (CN) 2025-09-09 US disclosed
CN-113727984-B Macrocyclic derivatives, preparation method and application thereof 浙江海正药业股份有限公司 2024-03-15 CN disclosed
US-20220235070-A1 MACROLIDE DERIVATIVES, PREPARATION METHOD AND APPLICATION THEREOF SHANGHAI ARYL PHARMTECH CO., LTD. (CN) 2022-07-28 US disclosed
EP-3974434-A1 MACROLIDE DERIVATIVES, PREPARATION METHOD AND APPLICATION THEREOF Zhejiang Hisun Pharmaceutical Co., Ltd. (CN) 2022-03-30 EP disclosed
CN-113727984-A Macrocyclic derivative, preparation method and application thereof 浙江海正药业股份有限公司 2021-11-30 CN disclosed
WO-2020233645-A1 MACROLIDE DERIVATIVES, PREPARATION METHOD AND APPLICATION THEREOF 浙江海正药业股份有限公司 (CN) 2020-11-26 WO disclosed
US-8088817-B2 Pyrrole derivative having, as substituents, ureido group, aminocarbonly group and bicyclic group which may have substituent SANTEN PHARMACEUTICAL CO., LTD. (JP) 2012-01-03 US disclosed
US-8088817-B2 Pyrrole derivative having, as substituents, ureido group, aminocarbonly group and bicyclic group which may have substituent SANTEN PHARMACEUTICAL CO., LTD. (JP) 2012-01-03 US disclosed
US-8088817-B2 Pyrrole derivative having, as substituents, ureido group, aminocarbonly group and bicyclic group which may have substituent SANTEN PHARMACEUTICAL CO., LTD. (JP) 2012-01-03 US disclosed
US-20110136794-A1 NOVEL PYRROLE DERIVATIVE HAVING, AS SUBSTITUENTS, UREIDO GROUP, AMINOCARBONLY GROUP AND BICYCLIC GROUP WHICH MAY HAVE SUBSTITUENT SANTEN PHARMACEUTICAL CO., LTD. (JP) 2011-06-09 US disclosed
US-20110136794-A1 NOVEL PYRROLE DERIVATIVE HAVING, AS SUBSTITUENTS, UREIDO GROUP, AMINOCARBONLY GROUP AND BICYCLIC GROUP WHICH MAY HAVE SUBSTITUENT SANTEN PHARMACEUTICAL CO., LTD. (JP) 2011-06-09 US disclosed
US-20110136794-A1 NOVEL PYRROLE DERIVATIVE HAVING, AS SUBSTITUENTS, UREIDO GROUP, AMINOCARBONLY GROUP AND BICYCLIC GROUP WHICH MAY HAVE SUBSTITUENT SANTEN PHARMACEUTICAL CO., LTD. (JP) 2011-06-09 US disclosed
EP-2319831-A1 NOVEL PYRROLE DERIVATIVE HAVING, AS SUBSTITUENTS, UREIDE GROUP, AMINOCARBONYL GROUP AND BICYCLIC GROUP WHICH MAY HAVE SUBSTITUENT Santen Pharmaceutical Co., Ltd (JP) 2011-05-11 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 (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-20110136794-A1 NOVEL PYRROLE DERIVATIVE HAVING, AS SUBSTITUENTS, UREIDO GROUP, AMINOCARBONLY GROUP AND BICYCLIC GROUP WHICH MAY HAVE SUBSTITUENT IL6, IL6ST, UACA NPC1 3855/4885RAB9A 1863/4885PTGDR2 222/4885
US-20220235070-A1 MACROLIDE DERIVATIVES, PREPARATION METHOD AND APPLICATION THEREOF ROS1, IRAK1, IRAK2 NPC1 353/4885RAB9A 1177/4885PTGDR2 3764/4885
US-12410191-B2 Macrolide derivatives, preparation method and application thereof ROS1, IRAK1, IRAK2 NPC1 353/4885RAB9A 1177/4885PTGDR2 3764/4885

“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.