SCHEMBL2680435

SCHEMBL2680435

Cc1ccc(C(C)c2ccc(F)cc2)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.65
NFE2L2 Q16236 1/20 0.50
TDP1 Q9NUW8 2/20 0.44
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
ESR1 P03372 1/20 0.44
PDCD1 Q15116 1/20 0.44
ESR2 Q92731 1/20 0.44
CD274 Q9NZQ7 1/20 0.44
DAO P14920 1/20 0.43
CHRNA7 P36544 1/20 0.41
HTR1A P08908 1/20 0.40
HTR7 P34969 1/20 0.40
HTR6 P50406 1/20 0.40
IDO1 P14902 2/20 0.39
TDO2 P48775 2/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
CYP17A1 P05093 1/20 0.38

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
SCHEMBL7893366 0.89 ESR1 (0.52) ACHEALDH1A1ESR1PDCD1ESR2
Ammonia Solution, Strong SCHEMBL7995946 0.87 ESR1 (0.50) ACHEALDH1A1ESR1PDCD1ESR2
SCHEMBL146509 0.87 ESR1 (0.55) ACHETDP1ALDH1A1LMNAESR1
Ammonia Solution, Strong SCHEMBL7995783 0.84 ESR1 (0.52) ACHETDP1ALDH1A1LMNAESR1
SCHEMBL18293317 0.82 CYP17A1 (0.47) ACHEESR1PDCD1ESR2CD274
SCHEMBL20868149 0.82 ACHE (0.68) ACHENFE2L2TDP1ALDH1A1LMNA
SCHEMBL12789806 0.81 ACHE (0.59) ACHENFE2L2TDP1ALDH1A1LMNA
SCHEMBL12689 0.81
SCHEMBL7025938 0.81
SCHEMBL19194402 0.81 DAO (0.41) ACHENFE2L2TDP1ALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230151007-A1 SUBSTITUTED PYRIDOPYRIMIDINONYL COMPOUNDS USEFUL AS T CELL ACTIVATORS BRISTOL MYERS SQUIBB CO (US) 2023-05-18 US disclosed
US-11584747-B2 Substituted pyridopyrimidinonyl compounds useful as T cell activators SYNGENE INTERNATIONAL LIMITED (IN) 2023-02-21 US disclosed
EP-3324975-B1 COMPOSITION COMPRISING A THERAPEUTIC AGENT AND A RESPIRATORY STIMULANT AND METHODS FOR THE USE THEREOF HSU JOHN (US) 2022-05-18 EP disclosed
US-20210061802-A1 SUBSTITUTED PYRIDOPYRIMIDINONYL COMPOUNDS USEFUL AS T CELL ACTIVATORS SYNGENE INTERNATIONAL LIMITED (IN) 2021-03-04 US disclosed
US-9079834-B2 HIV protease inhibitors MERCK CANADA INC. (CA) 2015-07-14 US disclosed
US-20140018325-A1 HIV PROTEASE INHIBITORS MERCK CANADA INC. (CA) 2014-01-16 US disclosed
US-8088346-B2 Alkene hydrofunctionalization reactions UNIVERSITY OF UTAH RESEARCH FOUNDATION (US) 2012-01-03 US disclosed
US-8088346-B2 Alkene hydrofunctionalization reactions UNIVERSITY OF UTAH RESEARCH FOUNDATION (US) 2012-01-03 US disclosed
US-20090069580-A1 Alkene Hydrofunctionalization Reactions NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2009-03-12 US disclosed
US-20090069580-A1 Alkene Hydrofunctionalization Reactions NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2009-03-12 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 (5 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-20140018325-A1 HIV PROTEASE INHIBITORS PRSS1, SERPINB1, FURIN ACHE 230/4885NFE2L2 4697/4885TDP1 1016/4885
US-11584747-B2 Substituted pyridopyrimidinonyl compounds useful as T cell activators DGKZ, DGKA, DGKG ACHE 3397/4885NFE2L2 4411/4885TDP1 1200/4885
US-20210061802-A1 SUBSTITUTED PYRIDOPYRIMIDINONYL COMPOUNDS USEFUL AS T CELL ACTIVATORS DGKZ, DGKA, DGKG ACHE 3397/4885NFE2L2 4411/4885TDP1 1200/4885
US-20090069580-A1 Alkene Hydrofunctionalization Reactions ADH1A, ADH1C, ADH5 ACHE 2281/4885NFE2L2 111/4885TDP1 4135/4885
US-20230151007-A1 SUBSTITUTED PYRIDOPYRIMIDINONYL COMPOUNDS USEFUL AS T CELL ACTIVATORS DGKZ, DGKA, DGKG ACHE 3586/4885NFE2L2 4032/4885TDP1 1296/4885

“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.