SCHEMBL6765922

SCHEMBL6765922

COc1cc(CO)ccc1I

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 3/20 0.45
POLB P06746 2/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
TSHR P16473 2/20 0.43
ALDH1A1 P00352 2/20 0.43
GAA P10253 1/20 0.43
NFKB1 P19838 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
ACHE P22303 1/20 0.43
TTR P02766 2/20 0.42
MMP1 P03956 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP4F2 P78329 1/20 0.42
CYP4A11 Q02928 1/20 0.42
TAAR1 Q96RJ0 2/20 0.42
MAPK1 P28482 1/20 0.42
FOS P01100 1/20 0.41
JUN P05412 1/20 0.41
NR3C1 P04150 1/20 0.41

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
SCHEMBL2723044 0.84 CA2 (0.45) CA2POLBNPC1RAB9ATSHR
SCHEMBL5058089 0.82 NPC1 (0.38) CA2POLBNPC1RAB9ATSHR
SCHEMBL19578912 0.82 PTGS2 (0.52) CA2POLBTSHRALDH1A1GAA
SCHEMBL28170408 0.81 CA2 (0.68) CA2POLBNPC1RAB9AALDH1A1
SCHEMBL119395 0.81 CA2 (0.68) CA2POLBNPC1RAB9AALDH1A1
SCHEMBL29997296 0.81 CA2 (0.68) CA2POLBNPC1RAB9AALDH1A1
SCHEMBL16959158 0.81 HTT (0.47) POLBNPC1RAB9ATSHRALDH1A1
SCHEMBL15849814 0.80 CYP4F2 (0.39) CA2POLBNPC1RAB9ATSHR
SCHEMBL17913155 0.80 KDM4E (0.48) CA2TSHRALDH1A1GAANFKB1
SCHEMBL4217006 0.79 CSNK2A1 (0.42) POLBNPC1RAB9AALDH1A1GAA

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 45 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12202836-B2 Bicyclic-fused heteroaryl or aryl compounds PFIZER INC. (US) 2025-01-21 US disclosed
US-20230339960-A1 Bicyclic-Fused Heteroaryl or Aryl Compounds PFIZER (US) 2023-10-26 US disclosed
US-11702424-B2 Bicyclic-fused heteroaryl or aryl compounds PFIZER INC. (US) 2023-07-18 US disclosed
CN-111542516-B IRAK4 inhibitors and uses thereof 新标立亚医疗有限公司 2023-07-18 CN disclosed
EP-3536685-B1 BICYCLIC-FUSED HETEROARYL OR ARYL COMPOUNDS AND THEIR USE AS IRAK4 INHIBITORS PFIZER (US) 2022-02-16 EP disclosed
US-20200385370-A1 APPARATUS FOR REMOVING BAD ODOR FROM TOILET SYNBLIA THERAPEUTICS, INC. 2020-12-10 US disclosed
US-20200385370-A1 APPARATUS FOR REMOVING BAD ODOR FROM TOILET SYNBLIA THERAPEUTICS, INC. 2020-12-10 US disclosed
US-20200377511-A1 Bicyclic-Fused Heteroaryl or Aryl Compounds PFIZER INC. (US) 2020-12-03 US disclosed
CN-106458912-B Bicyclic fused heteroaryl or aryl compounds and their use as IRAK4 mimetics 辉瑞公司 2020-10-27 CN disclosed
US-10793579-B2 Bicyclic-fused heteroaryl or aryl compounds PFIZER INC. (US) 2020-10-06 US disclosed
US-20110306593-A1 GAMMA SECRETASE MODULATORS MERCK SHARP & DOHME LLC 2011-12-15 US disclosed
US-20110294756-A1 GAMMA SECRETASE MODULATORS MERCK SHARP & DOHME LLC 2011-12-01 US disclosed
US-20110294756-A1 GAMMA SECRETASE MODULATORS MERCK SHARP & DOHME LLC 2011-12-01 US disclosed
US-20110257156-A1 GAMMA SECRETASE MODULATORS MERCK SHARP & DOHME CORP. 2011-10-20 US disclosed
US-20110257156-A1 GAMMA SECRETASE MODULATORS MERCK SHARP & DOHME CORP. 2011-10-20 US disclosed
WO-2010056849-A1 GAMMA SECRETASE MODULATORS SCHERING CORPORATION (US) 2010-05-20 WO disclosed
WO-2010056722-A1 GAMMA SECRETASE MODULATORS SCHERING CORPORATION (US) 2010-05-20 WO disclosed
WO-2010054078-A1 GAMMA SECRETASE MODULATORS SCHERING CORPORATION (US) 2010-05-14 WO disclosed
US-6825181-B1 ORALLY ADMINISTRATED TO EXHIBIT A STRONG ANTICOAGULANT EFFECT BY INHIBITING ACTIVATED BLOOD- COAGULATION FACTOR X AJINOMOTO CO., INC. (JP) 2004-11-30 US disclosed
EP-1065200-A1 AMINOISOQUINOLINE DERIVATIVES Ajinomoto Co., Inc. (JP) 2001-01-03 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 (9 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-20110257156-A1 GAMMA SECRETASE MODULATORS BACE1, BACE2, PSEN1 CA2 3225/4885POLB 1910/4885NPC1 531/4885
US-20110294756-A1 GAMMA SECRETASE MODULATORS BACE1, BACE2, APH1A CA2 3413/4885POLB 2140/4885NPC1 680/4885
US-20200385370-A1 APPARATUS FOR REMOVING BAD ODOR FROM TOILET IRAK4, IRAK1, IRAK2 CA2 4043/4885POLB 1437/4885NPC1 3497/4885
US-20110306593-A1 GAMMA SECRETASE MODULATORS BACE1, BACE2, PSEN1 CA2 2381/4885POLB 1448/4885NPC1 690/4885
US-20200377511-A1 Bicyclic-Fused Heteroaryl or Aryl Compounds UGT2B7, CYP3A43, CYP3A4 CA2 3630/4885POLB 2014/4885NPC1 247/4885
US-10793579-B2 Bicyclic-fused heteroaryl or aryl compounds UGT2B7, CYP3A43, CYP3A4 CA2 3630/4885POLB 2014/4885NPC1 247/4885
US-20230339960-A1 Bicyclic-Fused Heteroaryl or Aryl Compounds TTR, TYR, ABL1 CA2 2479/4885POLB 2761/4885NPC1 2914/4885
US-12202836-B2 Bicyclic-fused heteroaryl or aryl compounds TTR, TYR, ABL1 CA2 2479/4885POLB 2761/4885NPC1 2914/4885
US-11702424-B2 Bicyclic-fused heteroaryl or aryl compounds UGT2B7, CYP3A43, CYP3A4 CA2 3630/4885POLB 2014/4885NPC1 247/4885

“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.