SCHEMBL4164791

SCHEMBL4164791

CCOc1ccc(CC(C)(C)NC(=O)O)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACACB O00763 2/20 0.54
POLB P06746 3/20 0.49
NPC1 O15118 3/20 0.49
RAB9A P51151 3/20 0.49
TDP1 Q9NUW8 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
MAPK1 P28482 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
EPHX2 P34913 1/20 0.48
NR1H4 Q96RI1 1/20 0.48
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
PLK1 P53350 1/20 0.45
LMNA P02545 1/20 0.45
CYP1A2 P05177 1/20 0.45
HPGD P15428 1/20 0.44
ALDH1A1 P00352 3/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 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
SCHEMBL5327317 0.84 KDM4E (0.60) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL3846947 0.81 MAPT (0.53) ACACBNPC1RAB9ASMN1; SMN2L3MBTL1
SCHEMBL28180587 0.79 POLB (0.53) POLBNPC1RAB9ATDP1SMN1; SMN2
SCHEMBL4171208 0.78 ESR1 (0.59) MEN1KMT2ALMNAHPGDALDH1A1
SCHEMBL27461036 0.78 CYP3A4 (0.50) ACACBMAPK1EPHX2MEN1KMT2A
SCHEMBL5948337 0.78 CYP3A4 (0.67) POLBNPC1RAB9ASMN1; SMN2MAPK1
SCHEMBL12561575 0.77 NQO1 (0.61) POLBNPC1RAB9ATDP1SMN1; SMN2
SCHEMBL9718295 0.77 KDM4E (0.57) SMN1; SMN2MEN1KMT2ALMNAHPGD
SCHEMBL28794058 0.77 CYP2C9 (0.49) ACACBSMN1; SMN2MAPK1MEN1KMT2A
SCHEMBL16041240 0.77 ALDH1A1 (0.49) ACACBPOLBNPC1RAB9AMEN1

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
CN-105377834-B The derivative of dolastatin 10 and Ao Li statins 皮埃尔法布雷医药公司 2018-04-20 CN disclosed
CN-106470708-A Antibody-drug-conjugates and their use for the treatment of cancer 皮埃尔法布雷医药公司 2017-03-01 CN disclosed
CN-106456800-A IGF-1R antibody-drug-conjugates and uses thereof for the treatment of cancer 皮埃尔法布雷医药公司 2017-02-22 CN disclosed
US-20090181961-A1 NOVEL MEDICAMENTS FOR THE TREATMENT OF RESPIRATORY DISEASES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-07-16 US disclosed
US-20080167298-A1 MEDICAMENTS FOR THE TREATMENT OF CHRONIC OBSTRUCTIVE PULMONARY DISEASE BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2008-07-10 US disclosed
US-20050272726-A1 Novel medicaments for the treatment of respiratory diseases BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-12-08 US disclosed
US-20050256115-A1 Aerosol formulation for the inhalation of beta-agonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-11-17 US disclosed
US-20050239778-A1 Novel medicament combinations for the treatment of respiratory diseases BOEHRINGER INGELHEIM INTERNATIONAL GMBH 2005-10-27 US disclosed
US-20050222144-A1 Medicaments for the treatment of chronic obstructive pulmonary disease BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2005-10-06 US disclosed
US-20040147513-A1 New medicaments for the treatment of chronic obstructive pulmonary disease BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-07-29 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 (7 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-20080167298-A1 MEDICAMENTS FOR THE TREATMENT OF CHRONIC OBSTRUCTIVE PULMONARY DISEASE H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, SLC26A4, CHRM1 ACACB 1967/4885POLB 3035/4885NPC1 50/4885
US-20050256115-A1 Aerosol formulation for the inhalation of beta-agonists ADRB1, ADRB2, ADRB3 ACACB 2328/4885POLB 1918/4885NPC1 1914/4885
US-20090181961-A1 NOVEL MEDICAMENTS FOR THE TREATMENT OF RESPIRATORY DISEASES MRGPRX2, MRGPRX1, CFTR ACACB 3213/4885POLB 3158/4885NPC1 754/4885
US-20050222144-A1 Medicaments for the treatment of chronic obstructive pulmonary disease H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, SLC26A4, CHRM1 ACACB 1990/4885POLB 2999/4885NPC1 53/4885
US-20050272726-A1 Novel medicaments for the treatment of respiratory diseases MRGPRX2, MRGPRX1, CFTR ACACB 3213/4885POLB 3158/4885NPC1 754/4885
US-20040147513-A1 New medicaments for the treatment of chronic obstructive pulmonary disease CLIC1, OTC, SLC10A1 ACACB 1255/4885POLB 2583/4885NPC1 29/4885
US-20050239778-A1 Novel medicament combinations for the treatment of respiratory diseases MRGPRX2, MRGPRX1, MTNR1B ACACB 3033/4885POLB 4066/4885NPC1 1010/4885

“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.