SCHEMBL3065370

SCHEMBL3065370

CCc1ccc2c(c1)[CH]c1ccccc1-2

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.53
MAPT P10636 2/20 0.53
NPC1 O15118 1/20 0.53
LMNA P02545 1/20 0.53
MAPK1 P28482 1/20 0.53
RAB9A P51151 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
CYP1A2 P05177 1/20 0.45
CYP2A6 P11509 1/20 0.45
PDK2 Q15119 1/20 0.42
TP53 P04637 1/20 0.39
KIF11 P52732 1/20 0.38
TRPA1 O75762 1/20 0.38
RPS6KA2 Q15349 1/20 0.37
CSNK2A2 P19784 1/20 0.37
CSNK2B P67870 1/20 0.37
CSNK2A1 P68400 1/20 0.37
CSNK2A3 Q8NEV1 1/20 0.37
KDM4E B2RXH2 1/20 0.35

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
SCHEMBL27383384 0.93 ALDH1A1 (0.47) ALDH1A1MAPTNPC1LMNAMAPK1
SCHEMBL2035849 0.89 ALDH1A1 (0.47) ALDH1A1MAPTNPC1LMNAMAPK1
SCHEMBL28046784 0.88 ALDH1A1 (0.53) ALDH1A1MAPTNPC1LMNAMAPK1
SCHEMBL3068452 0.85 PDK2 (0.45) ALDH1A1MAPTNPC1LMNAMAPK1
SCHEMBL3062489 0.82 GPR3 (0.49) ALDH1A1MAPTNPC1LMNAMAPK1
SCHEMBL27725019 0.82 ALDH1A1 (0.41) ALDH1A1MAPTNPC1LMNAMAPK1
SCHEMBL4274559 0.80 GPR3 (0.55) ALDH1A1LMNATP53KDM4ESLC6A2
SCHEMBL4338325 0.80 NPC1 (0.40) ALDH1A1MAPTNPC1LMNAMAPK1
SCHEMBL4272475 0.79 ESR1 (0.38) ALDH1A1MAPTNPC1LMNAMAPK1
SCHEMBL4276351 0.79 GPR3 (0.57) ALDH1A1LMNATP53KDM4ESLC6A2

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
EP-0524624-B1 Use of organometallic flurorenyl compounds. PHILLIPS PETROLEUM CO (US) 2002-05-15 EP claimed
US-5627247-A COMPOUNDS OF CYCLOPENTADIENE OR INDENE WITH FLUORENE AND GROUP IV METALS PHILLIPS PETROLEUM COMPANY (US) 1997-05-06 US claimed
EP-2045254-B1 RARE EARTH METAL COMPLEX, CATALYST FOR POLYMERIZATION AND PROCESS FOR PRODUCING POLYMER SUMITOMO CHEMICAL CO (JP) 2013-01-09 EP disclosed
US-7851569-B2 Rare earth metal complex, polymerization catalyst, and process for producing polymer SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-12-14 US disclosed
US-20100261857-A1 OLEFIN/(METH)ACRYLATE BLOCK COPOLYMER AND METHOD FOR PRODUCING THE SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-10-14 US disclosed
EP-2189483-A1 OLEFIN/(METH)ACRYLATE BLOCK COPOLYMER AND METHOD FOR PRODUCING THE SAME Sumitomo Chemical Company, Limited (JP) 2010-05-26 EP disclosed
US-7615660-B2 Production process of alkoxy-titanium complex SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-11-10 US disclosed
US-20090253875-A1 RARE EARTH METAL COMPLEX, POLYMERIZATION CATALYST AND METHOD FOR PRODUCING POLYMER SUMITOMO CHEMICAL COMPANY, LIMITED 2009-10-08 US disclosed
US-7592403-B2 Ethylene polymer, preparation process thereof and molded articles of the same MITSUI CHEMICALS, INC. (JP) 2009-09-22 US disclosed
EP-2045254-A1 RARE EARTH METAL COMPLEX, CATALYST FOR POLYMERIZATION AND PROCESS FOR PRODUCING POLYMER Sumitomo Chemical Company, Limited (JP) 2009-04-08 EP disclosed
US-20080306293-A1 Production Process of Alkoxy-Titanium Complex SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2008-12-11 US disclosed
EP-1845101-A1 METHOD FOR PRODUCING ALKOXYTITANIUM COMPLEX Sumitomo Chemical Company, Limited (JP) 2007-10-17 EP disclosed
US-20050267273-A1 Ethylene polymer, preparation process thereof and molded articles of the same MITSUI CHEMICALS, INC. 2005-12-01 US disclosed
EP-1231229-A2 Ethylene polymer, preparation process thereof and molded articles of the same Mitsui Chemicals, Inc. (JP) 2002-08-14 EP disclosed
US-20020107343-A1 Ethylene polymer, preparation process thereof and molded articles of the same MITSUI CHEMICALS, INC. 2002-08-08 US disclosed
US-6072085-A COMBINING SUBSTRATE IMINE, NUCLEOPHILIC ACTIVATOR, SILANE, METAL CATALYST, WHEREIN CATALYST CATALYZES REDUCTION OF IMINE BY HYDROSILATION MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2000-06-06 US disclosed
EP-0726271-B1 Organoaluminoxy product, catalyst systems, preparation, and use PHILLIPS PETROLEUM CO (US) 2000-05-24 EP disclosed
US-5670589-A COORDINATION POLYMERIZATION CATALYST PHILLIPS PETROLEUM COMPANY (US) 1997-09-23 US disclosed
EP-0726271-A1 Organoaluminoxy product, catalyst systems, preparation, and use PHILLIPS PETROLEUM COMPANY (US) 1996-08-14 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 (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-20080306293-A1 Production Process of Alkoxy-Titanium Complex ABL1, H1-10, ALK ALDH1A1 1690/4885MAPT 4631/4885NPC1 3893/4885
US-20090253875-A1 RARE EARTH METAL COMPLEX, POLYMERIZATION CATALYST AND METHOD FOR PRODUCING POLYMER RPS27L, LAS1L, AGL ALDH1A1 4278/4885MAPT 4057/4885NPC1 2833/4885

“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.