SCHEMBL1637909

SCHEMBL1637909

CC(=O)c1cc(C)[c]c(C)c1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CA5A P35218 1/20 0.50
LMNA P02545 2/20 0.41
CYP2A6 P11509 1/20 0.39
RAB9A P51151 5/20 0.36
MAPT P10636 4/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
HPGD P15428 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
KMT2A Q03164 1/20 0.36
NPC1 O15118 4/20 0.35
MAPK1 P28482 1/20 0.35
STAT3 P40763 1/20 0.35
STAT1 P42224 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
HSD17B1 P14061 2/20 0.34
TPMT P51580 1/20 0.33
PKM P14618 1/20 0.33

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
SCHEMBL4195296 0.81 CA5A (0.39) CA5ALMNACYP2A6RAB9AMAPT
SCHEMBL1636309 0.81 LMNA (0.46) CA5ALMNACYP2A6RAB9AMAPT
SCHEMBL5052149 0.79 TPMT (0.56) CA5ALMNAMAPTSMN1; SMN2HPGD
SCHEMBL1971878 0.77 PARP1 (0.45) MAPTSMN1; SMN2L3MBTL1KMT2ATDP1
SCHEMBL669554 0.76 CA5A (0.67) CA5ALMNACYP2A6RAB9AMAPT
SCHEMBL6377610 0.74 CA5A (0.50) CA5ALMNACYP2A6RAB9AMAPT
SCHEMBL2088791 0.74 CA5A (0.50) CA5ALMNACYP2A6RAB9AMAPT
SCHEMBL1636120 0.74
SCHEMBL4200023 0.73 CA1 (0.56) LMNAMAPTHPGDL3MBTL1TDP1
SCHEMBL4187982 0.73 ALDH1A1 (0.42) LMNAMAPTSMN1; SMN2HPGDKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8324223-B2 Substituted thieno [2,3-d] pyrimidines as HIV inhibitors ARDEA BIOSCIENCES, INC. (US) 2012-12-04 US claimed
US-8309735-B2 Heterocyclic compounds for the inhibition of integrins and use thereof SHIRE ORPHAN THERAPIES GMBH (DE) 2012-11-13 US claimed
CN-101233135-B Diaryl-purine, diaryl-azapurine and diaryl-deazapurine compounds as non-nucleoside reverse transcriptase inhibitors for the treatment of human immunodeficiency virus ARDEA BIOSCIENCES INC 2012-10-03 CN claimed
US-20120225894-A1 Substituted Thienol[2,3-d] pyrimidines as HIV Inhibitors ARDEA BIOSCIENCES, INC. (US) 2012-09-06 US claimed
EP-1877411-B9 DIARYL-PURINE, AZAPURINES AND -DEAZAPURINES AS NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS FOR TREATMENT OF HIV ARDEA BIOSCIENCES INC (US) 2012-08-29 EP claimed
US-8211898-B2 Substituted thieno[3,2-d]pyrimidines as HIV inhibitors ARDEA BIOSCIENCES, INC. (US) 2012-07-03 US claimed
EP-1877411-B1 DIARYL-PURINE, AZAPURINES AND -DEAZAPURINES AS NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS FOR TREATMENT OF HIV ARDEA BIOSCIENCES INC (US) 2012-01-18 EP claimed
EP-2132211-A2 4-CYANOPHENYLAMINO-SUBSTITUTED BICYCLIC HETEROCYCLIC COMPOUNDS AS HIV INHIBITORS Ardea Biosciences, Inc. (US) 2009-12-16 EP claimed
US-20090281124-A1 4-CYANOPHENYLAMINO-SUBSTITUTED BICYCLIC HETEROCYCLIC COMPOUNDS AS HIV INHIBITORS ARDEA BIOSCIENCES (US) 2009-11-12 US claimed
US-7595324-B2 Substituted thieno[3,2-D]pyrimidines as HIV inhibitors ARDEA BIOSCIENCES, INC. (US) 2009-09-29 US claimed
EP-2024357-A2 NEW HETEROCYCLIC COMPOUNDS FOR THE INHIBITION OF INTEGRINS AND USE THEREOF Jereni AG (DE) 2009-02-18 EP claimed
EP-1877411-A4 DIARYL-PURINE, AZAPURINES AND -DEAZAPURINES AS NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS FOR TREATMENT OF HIV ARDEA BIOSCIENCES INC (US) 2008-10-22 EP claimed
EP-1979342-A1 COMPOUNDS FOR THE INHIBITION OF INTEGRINS AND USE THEREOF Jerini AG (DE) 2008-10-15 EP claimed
CN-101233135-A Diaryl-purine, diaryl-azapurine and diaryl-deazapurine compounds as non-nucleoside reverse transcriptase inhibitors for the treatment of human immunodeficiency virus ARDEA BIOSCIENCES INC (US) 2008-07-30 CN claimed
US-20080176871-A1 4-CYANOPHENYLAMINO-SUBSTITUTED BICYCLIC HETEROCYCLIC COMPOUNDS AS HIV INHIBITORS ARDEA BIOSCIENCES, INC. (US) 2008-07-24 US claimed
WO-2008058285-A2 4-CYANOPHENYLAMINO-SUBSTITUTED BICYCLIC HETEROCYCLIC COMPOUNDS AS HIV INHIBITORS ARDEA BIOSCIENCES, INC. (US) 2008-05-15 WO claimed
EP-1877411-A2 DIARYL-PURINE, AZAPURINES AND -DEAZAPURINES AS NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS FOR TREATMENT OF HIV Ardea Biosciences, Inc. (US) 2008-01-16 EP claimed
WO-2007131764-A2 NEW HETEROCYCLIC COMPOUNDS FOR THE INHIBITION OF INTEGRINS AND USE THEREOF JERINI AG (DE) 2007-11-22 WO claimed
WO-2007088041-A1 COMPOUNDS FOR THE INHIBITION OF INTEGRINS AND USE THEREOF JERINI AG (DE) 2007-08-09 WO claimed
WO-2006122003-A2 DIARYL-PURINE, AZAPURINES AND -DEAZAPURINES AS NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS FOR TREATMENT OF HIV ARDEA BIOSCIENCES, INC. (US) 2006-11-16 WO claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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-20080176871-A1 4-CYANOPHENYLAMINO-SUBSTITUTED BICYCLIC HETEROCYCLIC COMPOUNDS AS HIV INHIBITORS CYCS, DCK, NSUN2 CA5A 3003/4885LMNA 1193/4885CYP2A6 1080/4885
US-20120225894-A1 Substituted Thienol[2,3-d] pyrimidines as HIV Inhibitors TYMS, DUT, TYMP CA5A 4523/4885LMNA 2489/4885CYP2A6 832/4885
US-20090281124-A1 4-CYANOPHENYLAMINO-SUBSTITUTED BICYCLIC HETEROCYCLIC COMPOUNDS AS HIV INHIBITORS CYCS, DCK, NSUN2 CA5A 3003/4885LMNA 1193/4885CYP2A6 1080/4885

“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.