SCHEMBL2980323

SCHEMBL2980323

CC[C@H](C)OC(=O)c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.55
CYP1A2 P05177 2/20 0.55
CYP2D6 P10635 2/20 0.55
POLB P06746 1/20 0.55
SCN1A P35498 1/20 0.55
SCN2A Q99250 1/20 0.55
SCN3A Q9NY46 1/20 0.55
TSHR P16473 2/20 0.55
TP53 P04637 1/20 0.55
NPC1 O15118 2/20 0.54
PDCD1 Q15116 1/20 0.53
CD274 Q9NZQ7 1/20 0.53
ALDH1A1 P00352 3/20 0.50
MAPT P10636 1/20 0.50
HTT P42858 1/20 0.50
RAB9A P51151 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
F2 P00734 1/20 0.48
TDP1 Q9NUW8 1/20 0.46
ADRB2 P07550 1/20 0.45

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
SCHEMBL2982475 1.00 LMNA (0.55) LMNACYP1A2CYP2D6POLBSCN1A
SCHEMBL867792 1.00 LMNA (0.55) LMNACYP1A2CYP2D6POLBSCN1A
Ammonia Solution, Strong SCHEMBL5809891 0.98 LMNA (0.54) LMNACYP1A2CYP2D6POLBSCN1A
Ethylbenzene SCHEMBL16672637 0.93 LMNA (0.50) LMNACYP1A2CYP2D6POLBSCN1A
SCHEMBL1965809 0.90 CA12 (0.53) LMNACYP1A2CYP2D6POLBTSHR
SCHEMBL25615625 0.90 PDCD1 (0.70) LMNACYP1A2CYP2D6POLBSCN1A
Phenol SCHEMBL3274652 0.88 CA12 (0.59) LMNACYP1A2CYP2D6POLBSCN1A
SCHEMBL16673400 0.87 LMNA (0.46) LMNACYP1A2CYP2D6POLBSCN1A
SCHEMBL716832 0.87 MAPT (0.60) LMNACYP1A2CYP2D6POLBSCN1A
SCHEMBL5375275 0.87 MAPT (0.48) LMNACYP1A2CYP2D6POLBSCN1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1751087-B1 LEVODOPA DERIVATIVES, AND COMPOSITIONS AND USES THEREOF XENOPORT INC (US) 2012-06-27 EP claimed
US-20100197953-A9 LEVODOPA PRODRUGS, AND COMPOSITIONS AND USES THEREOF XENOPORT, INC. (US) 2010-08-05 US claimed
US-20100173992-A1 LEVODOPA DIMETHYL-SUBSTITUTED DIESTER PRODRUGS, COMPOSITIONS, AND METHODS OF USE XENOPORT, INC. (US) 2010-07-08 US claimed
EP-2125702-A1 LEVODOPA DIMETHYL-SUBSTITUTED DIESTER PRODRUGS, COMPOSITIONS, AND METHODS OF USE Xenoport, Inc. (US) 2009-12-02 EP claimed
US-20090137834-A1 LEVODOPA PRODRUGS, AND COMPOSITIONS AND USES THEREOF XENOPORT, INC. (US) 2009-05-28 US claimed
US-7534813-B2 Levodopa prodrugs, and compositions and uses thereof XENOPORT, INC. (US) 2009-05-19 US claimed
US-20080214663-A1 Levodopa dimethyl-substituted diester prodrugs compositions, and methods of use XENOPORT, INC. 2008-09-04 US claimed
US-20080171789-A1 Catechol protected levodopa diester prodrugs, compositions, and methods of use XENOPORT, INC. 2008-07-17 US claimed
WO-2008076458-A1 LEVODOPA DIMETHYL-SUBSTITUTED DIESTER PRODRUGS, COMPOSITIONS, AND METHODS OF USE XENOPORT, INC. (US) 2008-06-26 WO claimed
US-7342131-B2 Levodopa prodrugs, and compositions and uses thereof XENOPORT, INC. (US) 2008-03-11 US claimed
US-20050282891-A1 Levodopa prodrugs, and compositions and uses thereof WILSHIRE PHARMACEUTICALS, INC. 2005-12-22 US claimed
US-10759828-B2 Neuroactive steroids, compositions, and uses thereof SAGE THERAPEUTICS, INC. (US) 2020-09-01 US disclosed
US-8324273-B2 Catechol protected levodopa diester prodrugs, compositions, and methods of use XENOPORT, INC. (US) 2012-12-04 US disclosed
US-8324272-B2 Levodopa dimethyl-substituted diester prodrugs, compositions, and methods of use XENOPORT, INC. (US) 2012-12-04 US disclosed
EP-1751087-B1 LEVODOPA DERIVATIVES, AND COMPOSITIONS AND USES THEREOF XENOPORT INC (US) 2012-06-27 EP disclosed
WO-2008076458-A1 LEVODOPA DIMETHYL-SUBSTITUTED DIESTER PRODRUGS, COMPOSITIONS, AND METHODS OF USE XENOPORT, INC. (US) 2008-06-26 WO disclosed
US-20080132570-A1 Levodopa prodrugs, and compositions and uses thereof XENOPORT, INC. (US) 2008-06-05 US disclosed
US-20080070984-A1 Compositions and Methods of Treating Schizophrenia XENOPORT, INC. 2008-03-20 US disclosed
US-7342131-B2 Levodopa prodrugs, and compositions and uses thereof XENOPORT, INC. (US) 2008-03-11 US disclosed
US-20050282891-A1 Levodopa prodrugs, and compositions and uses thereof WILSHIRE PHARMACEUTICALS, INC. 2005-12-22 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 (9 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-20100173992-A1 LEVODOPA DIMETHYL-SUBSTITUTED DIESTER PRODRUGS, COMPOSITIONS, AND METHODS OF USE COMT, DDT, DDC LMNA 2422/4885CYP1A2 438/4885CYP2D6 46/4885
US-20080132570-A1 Levodopa prodrugs, and compositions and uses thereof COMT, DDT, DDC LMNA 2387/4885CYP1A2 972/4885CYP2D6 124/4885
US-20100197953-A9 LEVODOPA PRODRUGS, AND COMPOSITIONS AND USES THEREOF COMT, DDT, DDC LMNA 2387/4885CYP1A2 972/4885CYP2D6 124/4885
US-10759828-B2 Neuroactive steroids, compositions, and uses thereof CHRNB4, CHRNB3, MC2R LMNA 2320/4885CYP1A2 442/4885CYP2D6 458/4885
US-20050282891-A1 Levodopa prodrugs, and compositions and uses thereof COMT, DDT, DDC LMNA 2387/4885CYP1A2 972/4885CYP2D6 124/4885
US-20080214663-A1 Levodopa dimethyl-substituted diester prodrugs compositions, and methods of use COMT, DDT, DDC LMNA 2510/4885CYP1A2 462/4885CYP2D6 52/4885
US-20090137834-A1 LEVODOPA PRODRUGS, AND COMPOSITIONS AND USES THEREOF COMT, DDT, DDC LMNA 2387/4885CYP1A2 972/4885CYP2D6 124/4885
US-20080171789-A1 Catechol protected levodopa diester prodrugs, compositions, and methods of use COMT, PARK7, DDT LMNA 3425/4885CYP1A2 584/4885CYP2D6 119/4885
US-20080070984-A1 Compositions and Methods of Treating Schizophrenia COMT, CHAT, SLC6A3 LMNA 3299/4885CYP1A2 1644/4885CYP2D6 986/4885

“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.