SCHEMBL3219477

SCHEMBL3219477

CCOC(=O)Cc1ccc(C(C)C)c(O)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
YWHAG P61981 1/20 0.48
LMNA P02545 2/20 0.46
TRPA1 O75762 1/20 0.46
CHRM1 P11229 1/20 0.46
SLC6A2 P23975 1/20 0.46
ADRA1A P35348 1/20 0.46
HTR2B P41595 1/20 0.46
CYP4Z1 Q86W10 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
NPC1 O15118 1/20 0.42
PKM P14618 1/20 0.42
NFKB1 P19838 1/20 0.42
RAB9A P51151 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
NLRP3 Q96P20 3/20 0.42
GAA P10253 3/20 0.41
ALDH1A1 P00352 1/20 0.41
GFER P55789 1/20 0.41

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
SCHEMBL13492093 0.86 CYP4Z1 (0.43) YWHAGLMNACYP4Z1SMN1; SMN2NPC1
SCHEMBL3219080 0.82 ABL1 (0.47) LMNACYP4Z1SMN1; SMN2NPC1PKM
SCHEMBL4140693 0.82 YWHAG (0.68) YWHAGLMNATRPA1CYP4Z1SMN1; SMN2
SCHEMBL31741653 0.82 YWHAG (0.68) YWHAGLMNATRPA1CYP4Z1SMN1; SMN2
SCHEMBL1008790 0.81 YWHAG (0.53) YWHAGLMNACYP4Z1SMN1; SMN2NPC1
SCHEMBL3204861 0.80 YWHAG (0.51) YWHAGLMNACYP4Z1SMN1; SMN2NPC1
SCHEMBL806790 0.79 KDM4E (0.61) LMNATRPA1CHRM1SLC6A2ADRA1A
SCHEMBL4029467 0.78 GAA (0.54) YWHAGLMNACYP4Z1SMN1; SMN2NPC1
SCHEMBL17689712 0.78 YWHAG (0.50) YWHAGLMNACYP4Z1SMN1; SMN2NPC1
SCHEMBL137925 0.78 YWHAG (0.50) YWHAGCYP4Z1SMN1; SMN2NPC1PKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1608633-B1 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS I FOR TREATING HIV MEDIATED DISEASES HOFFMANN LA ROCHE (CH) 2016-04-20 EP disclosed
US-8329755-B2 Methods for treating retroviral infections ROCHE PALO ALTO LLC (US) 2012-12-11 US disclosed
US-8329755-B2 Methods for treating retroviral infections ROCHE PALO ALTO LLC (US) 2012-12-11 US disclosed
US-20100041648-A1 METHODS FOR TREATING RETROVIRAL INFECTIONS DUNN JAMES PATRICK 2010-02-18 US disclosed
US-20100041648-A1 METHODS FOR TREATING RETROVIRAL INFECTIONS DUNN JAMES PATRICK 2010-02-18 US disclosed
US-7625949-B2 Methods for treating retroviral infections ROCHE PALO ALTO LLC (US) 2009-12-01 US disclosed
US-7625949-B2 Methods for treating retroviral infections ROCHE PALO ALTO LLC (US) 2009-12-01 US disclosed
EP-1742908-B1 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS HOFFMANN LA ROCHE (CH) 2009-11-11 EP disclosed
US-7348345-B2 Nonnucleoside reverse transcriptase inhibitors ROCHE PALO ALTO LLC (US) 2008-03-25 US disclosed
US-7348345-B2 Nonnucleoside reverse transcriptase inhibitors ROCHE PALO ALTO LLC (US) 2008-03-25 US disclosed
US-7189718-B2 Non-nucleoside reverse transcriptase inhibitors ROCHE PALO ALTO LLC (US) 2007-03-13 US disclosed
US-7166738-B2 Non-nucleoside reverse transcriptase inhibitors ROCHE PALO ALTO LLC (US) 2007-01-23 US disclosed
EP-1742908-A1 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS F.HOFFMANN-LA ROCHE AG (CH) 2007-01-17 EP disclosed
EP-1608633-A1 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS I FOR TREATING HIV MEDIATED DISEASES F. Hoffmann-La Roche AG (CH) 2005-12-28 EP disclosed
WO-2005102989-A1 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2005-11-03 WO disclosed
US-20050239881-A1 Non-nucleoside reverse transcriptase inhibitors ROCHE PALO ALTO LLC 2005-10-27 US disclosed
US-20050239880-A1 Methods for treating retroviral infections ROCHE PALO ALTO LLC 2005-10-27 US disclosed
US-20040198736-A1 Non-nucleoside reverse transcriptase inhibitors ROCHE PALO ALTO LLC 2004-10-07 US disclosed
WO-2004085411-A1 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS I FOR TREATING HIV MEDIATED DISEASES F. HOFFMANN-LA ROCHE AG (CH) 2004-10-07 WO disclosed
US-20040192704-A1 Non-nucleoside reverse transcriptase inhibitors ROCHE PALO ALTO LLC 2004-09-30 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-20100041648-A1 METHODS FOR TREATING RETROVIRAL INFECTIONS CCR5, CXCR4, CCR1 YWHAG 2999/4885LMNA 1961/4885TRPA1 3195/4885
US-20050239880-A1 Methods for treating retroviral infections CCR5, CD38, CD4 YWHAG 2502/4885LMNA 2586/4885TRPA1 4597/4885
US-20040192704-A1 Non-nucleoside reverse transcriptase inhibitors POLR1A, POLA1, REV1 YWHAG 3478/4885LMNA 1842/4885TRPA1 4805/4885
US-20040198736-A1 Non-nucleoside reverse transcriptase inhibitors POLR1A, POLR2A, POLR2E YWHAG 4289/4885LMNA 1382/4885TRPA1 4777/4885
US-20050239881-A1 Non-nucleoside reverse transcriptase inhibitors RPP30, PNP, RTF1 YWHAG 2427/4885LMNA 1159/4885TRPA1 4792/4885

“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.