SCHEMBL2841304

SCHEMBL2841304

CC(C)=CCC/C(C)=C/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(\C)C=O

nearest known ligand 0.83

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1I2 O75469 1/20 0.83
LMNA P02545 1/20 0.83
PGR P06401 1/20 0.83
ALDH1A1 P00352 3/20 0.55
FNTA P49354 1/20 0.47
FNTB P49356 1/20 0.47
POLB P06746 1/20 0.43
KMT2A Q03164 3/20 0.42
KDM4E B2RXH2 1/20 0.41
ATM Q13315 1/20 0.41
ALOX15 P16050 3/20 0.40
MEN1 O00255 2/20 0.40
CYP3A4 P08684 2/20 0.40
MAPT P10636 2/20 0.39
TSHR P16473 1/20 0.39
RECQL P46063 1/20 0.39
HSD17B10 Q99714 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
UGT1A1 P22309 1/20 0.39
SQLE Q14534 2/20 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
SCHEMBL2837986 1.00 NR1I2 (0.83) NR1I2LMNAPGRALDH1A1FNTA
SCHEMBL16431721 1.00 NR1I2 (0.83) NR1I2LMNAPGRALDH1A1FNTA
SCHEMBL2840626 1.00 NR1I2 (0.83) NR1I2LMNAPGRALDH1A1FNTA
SCHEMBL13903805 1.00 NR1I2 (0.83) NR1I2LMNAPGRALDH1A1FNTA
SCHEMBL30255525 0.95 NR1I2 (0.81) NR1I2LMNAPGRALDH1A1FNTA
SCHEMBL12198282 0.95 NR1I2 (0.81) NR1I2LMNAPGRALDH1A1FNTA
Lycopene SCHEMBL4538742 0.91 NR1I2 (1.00) NR1I2LMNAPGRALDH1A1FNTA
Lycopene SCHEMBL38650730 0.91 NR1I2 (1.00) NR1I2LMNAPGRALDH1A1FNTA
SCHEMBL2833787 0.91 NR1I2 (1.00) NR1I2LMNAPGRALDH1A1FNTA
Lycopene SCHEMBL21485499 0.91 NR1I2 (1.00) NR1I2LMNAPGRALDH1A1FNTA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1866323-B1 GLUCURONIDATED NEBIVOLOL MYLAN LAB INC (US) 2017-05-31 EP disclosed
EP-1848424-B1 PHARMACEUTICAL COMPOSITION COMPRISING HYDROXYLATED NEBIVOLOL MYLAN LAB INC (US) 2017-04-05 EP disclosed
CN-105622376-A Method for preparing 8'-Apo-psi-caroten-8'-al GUANGZHOU JUYUAN BIO-CHEM CO LTD 2016-06-01 CN disclosed
CN-105622376-A Method for preparing 8'-Apo-psi-caroten-8'-al GUANGZHOU JUYUAN BIO-CHEM CO LTD 2016-06-01 CN disclosed
EP-2808015-A1 Compositions comprising nebivolol MYLAN LABORATORIES, INC (US) 2014-12-03 EP disclosed
US-8871748-B2 Retinal cyclodextrin acetals and hemiacetals for treating skin complexion disorder ISLAND KINETICS INC. (US) 2014-10-28 US disclosed
US-8569269-B1 Chirally correct retinal cyclodextrin hemiacetals for treating skin disorder ISLAND KINETICS, INC. (US) 2013-10-29 US disclosed
US-20130172291-A1 RETINAL CYCLODEXTRIN ACETALS AND HEMIACETALS FOR TREATING SKIN COMPLEXION DISORDER ISLAND KINETICS INC. (US) 2013-07-04 US disclosed
US-8410079-B2 Chirally correct retinal cyclodextrin hemiacetals for clarifying skin complexion ISLAND KINETICS (US) 2013-04-02 US disclosed
WO-2013036286-A2 RETINAL CYCLODEXTRIN ACETALS AND HEMIACETALS FOR CLARIFYING SKIN COMPLEXION ISLAND KINETICS INC. (US) 2013-03-14 WO disclosed
US-20090069417-A1 CAROTENOID OXIDATION PRODUCTS AS CHEMOPREVENTIVE AND CHEMOTHERAPEUTIC AGENTS LY CORED LTD. (IL) 2009-03-12 US disclosed
EP-1982711-A1 Compositions comprsing nebivolol MYLAN LABORATORIES, INC (US) 2008-10-22 EP disclosed
US-20080161296-A1 Compositions comprising nebivolol DEY, INC. (F/K/A DEY LABORATORIES, INC.) 2008-07-03 US disclosed
EP-1866323-A2 GLUCURONIDATED NEBIVOLOL MYLAN LABORATORIES, INC (US) 2007-12-19 EP disclosed
EP-1848424-A2 PHARMACEUTICAL COMPOSITION COMPRISING HYDROXYLATED NEBIVOLOL MYLAN LABORATORIES, INC (US) 2007-10-31 EP disclosed
WO-2007043046-A2 CAROTENOID OXIDATION PRODUCTS AS CHEMOPREVENTIVE AND CHEMOTHERAPEUTIC AGENTS LYCORED LTD. (IL) 2007-04-19 WO disclosed
US-20070014734-A1 Glucuronidated nebivolol metabolites MYLAN INC. (F/K/A MYLAN LABORATORIES INC.) 2007-01-18 US disclosed
US-20070014733-A1 Hydroxylated nebivolol metabolites DEY PHARMA, L.P. (F/K/A DEY L.P.) 2007-01-18 US disclosed
WO-2006083779-A2 PHARMACEUTICAL COMPOSITION COMPRISING HYDROXYLATED NEBIVOLOL MYLAN LABORATORIES, INC. (US) 2006-08-10 WO disclosed
WO-2006083780-A2 GLUCURONIDATED NEBIVOLOL MYLAN LABORATORIES, INC. (US) 2006-08-10 WO 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-20080161296-A1 Compositions comprising nebivolol ADRB1, ADRB3, ADRB2 NR1I2 554/4885LMNA 185/4885PGR 3963/4885
US-20130172291-A1 RETINAL CYCLODEXTRIN ACETALS AND HEMIACETALS FOR TREATING SKIN COMPLEXION DISORDER CRYAA, HCCS, COL14A1 NR1I2 524/4885LMNA 1235/4885PGR 2590/4885
US-20070014734-A1 Glucuronidated nebivolol metabolites UGT1A4, UGT1A3, UGT1A1 NR1I2 241/4885LMNA 1082/4885PGR 3024/4885
US-20090069417-A1 CAROTENOID OXIDATION PRODUCTS AS CHEMOPREVENTIVE AND CHEMOTHERAPEUTIC AGENTS DOHH, BBOX1, TXN2 NR1I2 1186/4885LMNA 548/4885PGR 2394/4885
US-20070014733-A1 Hydroxylated nebivolol metabolites EDNRB, EDNRA, ADRB1 NR1I2 967/4885LMNA 862/4885PGR 4054/4885

“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.