SCHEMBL4079660

SCHEMBL4079660

CNc1ccc(C(C)(C)C)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 2/20 0.54
TSHR P16473 2/20 0.50
LMNA P02545 1/20 0.48
TYR P14679 1/20 0.48
ALDH1A1 P00352 2/20 0.46
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
MEN1 O00255 2/20 0.45
MAPT P10636 2/20 0.45
KMT2A Q03164 2/20 0.45
XBP1 P17861 1/20 0.45
MAPK1 P28482 1/20 0.45
HTT P42858 1/20 0.45
HDAC3 O15379 1/20 0.44
HDAC11 Q96DB2 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
EPHX2 P34913 1/20 0.44
NR1H4 Q96RI1 1/20 0.44

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
Hydrochloric Acid SCHEMBL2859848 0.97 KIF11 (0.52) KIF11TSHRLMNATYRALDH1A1
SCHEMBL10350345 0.83 KIF11 (0.54) KIF11TSHRALDH1A1MAPTCYP3A4
SCHEMBL9447399 0.83 KIF11 (0.54) KIF11TSHRALDH1A1MAPTCYP3A4
SCHEMBL22198256 0.82 GRIN2D (0.54) KIF11NPC1RAB9ASMN1; SMN2MEN1
SCHEMBL31212783 0.80 TSHR (0.52) KIF11TSHRLMNATYRALDH1A1
SCHEMBL2392625 0.80 TSHR (0.52) KIF11TSHRLMNATYRALDH1A1
SCHEMBL31212779 0.80 TSHR (0.52) KIF11TSHRLMNATYRALDH1A1
SCHEMBL49741 0.80 TSHR (0.52) KIF11TSHRLMNATYRALDH1A1
SCHEMBL12024617 0.79 KIF11 (0.61) KIF11TSHRALDH1A1NPC1RAB9A
SCHEMBL13105703 0.79 KIF11 (0.50) KIF11TSHRALDH1A1NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110669058-A Tricyclic quinolone carboxylic acid and preparation method thereof 江西农业大学 2020-01-10 CN claimed
CN-109678852-A 6- oxo hexahydropyrimidine derivative, preparation method and pharmacy application 南京中医药大学 2019-04-26 CN claimed
EP-1888596-B1 SUBSTITUTED SPIRO COMPOUNDS AND THEIR USE FOR PRODUCING PAIN-RELIEF MEDICAMENTS GRUENENTHAL GMBH (DE) 2014-10-22 EP claimed
US-20240216355-A1 PHARMACEUTICAL COMPOSITIONS FOR USE IN THE PREVENTION AND TREATMENT OF A DISEASE OR DISORDER CAUSED BY OR ASSOCIATED WITH ONE OR MORE PREMATURE TERMINATION CODONS MONTE ROSA THERAPEUTICS AG (CH) 2024-07-04 US disclosed
US-20240216355-A1 PHARMACEUTICAL COMPOSITIONS FOR USE IN THE PREVENTION AND TREATMENT OF A DISEASE OR DISORDER CAUSED BY OR ASSOCIATED WITH ONE OR MORE PREMATURE TERMINATION CODONS MONTE ROSA THERAPEUTICS AG (CH) 2024-07-04 US disclosed
CN-117886734-A Heterocyclic amide compound and preparation method, pharmaceutical composition and application thereof 中国药科大学 2024-04-16 CN disclosed
CN-115722266-B Azacarbene-amino-ruthenium catalyst, and preparation method and application thereof 广东药科大学 2024-04-05 CN disclosed
US-11931432-B2 Dental composition DENTSPLY SIRONA INC. (US) 2024-03-19 US disclosed
US-11912682-B2 Isoindolinone compounds MONTE ROSA THERAPEUTICS, INC. (US) 2024-02-27 US disclosed
US-11912682-B2 Isoindolinone compounds MONTE ROSA THERAPEUTICS, INC. (US) 2024-02-27 US disclosed
US-20230382909-A1 BICYCLIC COMPOUNDS ALIGOS THERAPEUTICS, INC. 2023-11-30 US disclosed
WO-1998020893-A1 METHODS AND COMPOSITIONS FOR STIMULATING NEURITE GROWTH USING COMPOUNDS WITH AFFINITY FOR FKBP12 IN COMBINATION WITH NEUROTROPHIC FACTORS VERTEX PHARMACEUTICALS INCORPORATED (US) 1998-05-22 WO disclosed
US-5744485-A INCREASE SENSITIVITY OF CELLS; CANCER VERTEX PHARMACEUTICALS INCORPORATED (US) 1998-04-28 US disclosed
CN-1148383-A Heterocyclylamino-and heterocyclyloxy-cycloalkyl derivatives, their preparation and their use as pesticides and fungicides HOECHST SCHERING AGREVO GMBH (DE) 1997-04-23 CN disclosed
EP-0754176-A1 NOVEL CARBAMATES AND UREAS AS MODIFIERS OF MULTI-DRUG RESISTANCE Vertex Pharmaceuticals Incorporated (US) 1997-01-22 EP disclosed
WO-1995026337-A1 NOVEL CARBAMATES AND UREAS AS MODIFIERS OF MULTI-DRUG RESISTANCE VERTEX PHARMACEUTICALS INCORPORATED (US) 1995-10-05 WO disclosed
EP-0257882-B1 N-PHENYL BUTENAMIDES WITH PHARMACEUTICAL PROPERTIES LILLY INDUSTRIES LIMITED (GB) 1991-07-24 EP disclosed
US-4892963-A IMMUNE DISEASES LILLY INDUSTRIES LIMITED (GB) 1990-01-09 US disclosed
EP-0257882-A1 N-Phenyl butenamides with pharmaceutical properties LILLY INDUSTRIES LIMITED (GB) 1988-03-02 EP disclosed
US-4565655-A Diazabicyclononene antibacterials ELI LILLY AND COMPANY (US) 1986-01-21 US 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 (4 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-20240216355-A1 PHARMACEUTICAL COMPOSITIONS FOR USE IN THE PREVENTION AND TREATMENT OF A DISEASE OR DISORDER CAUSED BY OR ASSOCIATED WITH ONE OR MORE PREMATURE TERMINATION CODONS UPF1, NSUN2, RTF2 KIF11 3553/4885TSHR 1410/4885LMNA 395/4885
US-11931432-B2 Dental composition CAD, MTR, ESD KIF11 3467/4885TSHR 4609/4885LMNA 4196/4885
US-20230382909-A1 BICYCLIC COMPOUNDS SLC10A1, PKD1, CYP11B2 KIF11 1361/4885TSHR 3288/4885LMNA 1338/4885
US-11912682-B2 Isoindolinone compounds CYP4F2, AOC2, AOC3 KIF11 2779/4885TSHR 1114/4885LMNA 1164/4885

“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.