SCHEMBL605205

SCHEMBL605205

CCCCCOC(=O)[C@@H](N)Cc1ccc(O)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 1/20 0.53
ESR1 P03372 4/20 0.49
LMNA P02545 2/20 0.49
CYP1A2 P05177 1/20 0.49
CYP2D6 P10635 1/20 0.49
TSHR P16473 1/20 0.49
MAPK1 P28482 1/20 0.49
CYP2C19 P33261 1/20 0.49
NR1H2 P55055 1/20 0.49
RNASEL Q05823 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
TYR P14679 2/20 0.47
NR5A1 Q13285 1/20 0.45
TAAR1 Q96RJ0 3/20 0.45
SLC6A2 P23975 3/20 0.45
ADRA2A P08913 2/20 0.44
ADORA3 P0DMS8 2/20 0.44
TACR2 P21452 2/20 0.44
SLC6A4 P31645 2/20 0.44
SLC6A3 Q01959 2/20 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
SCHEMBL16007584 1.00 SLC7A5 (0.53) SLC7A5ESR1LMNACYP1A2CYP2D6
SCHEMBL27807718 1.00 SLC7A5 (0.53) SLC7A5ESR1LMNACYP1A2CYP2D6
SCHEMBL10522486 0.99 SLC7A5 (0.51) SLC7A5ESR1LMNACYP1A2CYP2D6
Hydrochloric Acid SCHEMBL16007657 0.99 SLC7A5 (0.51) SLC7A5ESR1LMNACYP1A2CYP2D6
SCHEMBL7744532 0.99 SLC7A5 (0.51) SLC7A5ESR1LMNACYP1A2CYP2D6
SCHEMBL1270995 0.99 SLC7A5 (0.51) SLC7A5ESR1LMNACYP1A2CYP2D6
SCHEMBL7744530 0.99 SLC7A5 (0.51) SLC7A5ESR1LMNACYP1A2CYP2D6
SCHEMBL1270832 0.99 SLC7A5 (0.51) SLC7A5ESR1LMNACYP1A2CYP2D6
SCHEMBL5250950 0.99 SLC7A5 (0.51) SLC7A5ESR1LMNACYP1A2CYP2D6
SCHEMBL5250954 0.99 SLC7A5 (0.51) SLC7A5ESR1LMNACYP1A2CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060122421-A1 Crystallization of amino acids using ultrasonic agitation BECHTEL SIEGFRIED 2006-06-08 US claimed
EP-1461307-A2 CRYSTALLIZATION OF AMINO ACIDS USING ULTRASONIC AGITATION Abbott GmbH & Co. KG (DE) 2004-09-29 EP claimed
US-20030166726-A1 Crystallization of amino acids using ultrasonic agitation ABBOTT GMBH & CO. KG (DE) 2003-09-04 US claimed
WO-2003057717-A2 CRYSTALLIZATION OF AMINO ACIDS USING ULTRASONIC AGITATION ABBOTT GMBH & CO. KG (DE) 2003-07-17 WO claimed
US-9962369-B2 Methods and compositions for transdermal delivery SPRAYABLE HOLDINGS, INC. (US) 2018-05-08 US disclosed
US-9949952-B2 Methods and compositions for transdermal delivery SPRAYABLE HOLDINGS, INC. (US) 2018-04-24 US disclosed
US-9783798-B2 Site-specific incorporation of redox active amino acids into proteins THE SCRIPPS RESEARCH INSTITUTE (US) 2017-10-10 US disclosed
EP-3116489-A1 METHODS AND COMPOSITIONS FOR TRANSDERMAL DELIVERY Yu, Benjamin M. (US) 2017-01-18 EP disclosed
US-20160317435-A1 METHODS AND COMPOSITIONS FOR TRANSDERMAL DELIVERY OF CAFFEINE IN THE FORM OF SOLUTIONS OR SUSPENSIONS SPRAYABLE HOLDINGS, INC. 2016-11-03 US disclosed
EP-2964231-A1 METHODS AND COMPOSITIONS FOR TRANSDERMAL DELIVERY OF CAFFEINE IN THE FORMS OF SOLUTION OR SUSPENSION Yu, Benjamin M. (US) 2016-01-13 EP disclosed
US-9211249-B2 Methods and compositions for transdermal delivery of caffeine in the form of solutions or suspensions SPRAYABLE HOLDINGS, INC. 2015-12-15 US disclosed
US-20150258065-A1 METHODS AND COMPOSITIONS FOR TRANSDERMAL DELIVERY SPRAYABLE HOLDINGS, INC. 2015-09-17 US disclosed
EP-1687401-A2 SITE-SPECIFIC INCORPORATION OF REDOX ACTIVE AMINO ACIDS INTO PROTEINS The Scripps Research Institute (US) 2006-08-09 EP disclosed
US-20060122421-A1 Crystallization of amino acids using ultrasonic agitation BECHTEL SIEGFRIED 2006-06-08 US disclosed
US-6992216-B2 Crystallization of amino acids using ultrasonic agitation ABBOTT GMBH & CO. KG (DE) 2006-01-31 US disclosed
US-20050227318-A1 Site-specific incorporation of redox active amino acids into proteins THE SCRIPPS RESEARCH INSTITUTE (US) 2005-10-13 US disclosed
WO-2005038002-A2 SITE-SPECIFIC INCORPORATION OF REDOX ACTIVE AMINO ACIDS INTO PROTEINS THE SCRIPPS RESEARCH INSTITUTE (US) 2005-04-28 WO disclosed
EP-1461307-A2 CRYSTALLIZATION OF AMINO ACIDS USING ULTRASONIC AGITATION Abbott GmbH & Co. KG (DE) 2004-09-29 EP disclosed
US-20030166726-A1 Crystallization of amino acids using ultrasonic agitation ABBOTT GMBH & CO. KG (DE) 2003-09-04 US disclosed
WO-2003057717-A2 CRYSTALLIZATION OF AMINO ACIDS USING ULTRASONIC AGITATION ABBOTT GMBH & CO. KG (DE) 2003-07-17 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-20150258065-A1 METHODS AND COMPOSITIONS FOR TRANSDERMAL DELIVERY MTNR1A, MTNR1B, CYP27B1 SLC7A5 3782/4885ESR1 63/4885LMNA 2340/4885
US-20030166726-A1 Crystallization of amino acids using ultrasonic agitation DNPEP, ANPEP, UBAP2 SLC7A5 327/4885ESR1 4652/4885LMNA 3179/4885
US-20050227318-A1 Site-specific incorporation of redox active amino acids into proteins AARS1, OSGEP, EPRS1 SLC7A5 569/4885ESR1 3517/4885LMNA 4354/4885
US-20060122421-A1 Crystallization of amino acids using ultrasonic agitation DNPEP, ANPEP, UBAP2 SLC7A5 327/4885ESR1 4652/4885LMNA 3179/4885
US-20160317435-A1 METHODS AND COMPOSITIONS FOR TRANSDERMAL DELIVERY OF CAFFEINE IN THE FORM OF SOLUTIONS OR SUSPENSIONS TES, CCR7, CES2 SLC7A5 2194/4885ESR1 1226/4885LMNA 1785/4885

“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.