SCHEMBL3823288

SCHEMBL3823288

CC(C)Cc1ccc(C(C)C(=O)OCCN(C)C)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 7/20 0.60
▸ FAAH O00519 2/20 0.57
▸ PTGS1 P23219 4/20 0.55
▸ LMNA P02545 2/20 0.55
▸ CYP2C9 P11712 2/20 0.55
▸ AKR1C3 P42330 2/20 0.55
▸ CXCR1 P25024 2/20 0.55
▸ CXCR2 P25025 2/20 0.55
▸ ALB P02768 1/20 0.55
▸ ESR1 P03372 1/20 0.55
▸ ALOX5 P09917 1/20 0.55
▸ RARB P10826 1/20 0.55
▸ ADRB3 P13945 1/20 0.55
▸ NFKB1 P19838 1/20 0.55
▸ HTR2A P28223 1/20 0.55
▸ NR1I3 Q14994 1/20 0.55
▸ SLC22A6 Q4U2R8 1/20 0.55
▸ CXCL8 P10145 1/20 0.55
▸ TSHR P16473 1/20 0.55
▸ AKR1C2 P52895 1/20 0.55

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
SCHEMBL30346098 1.00 PTGS2 (0.60) PTGS2FAAHPTGS1LMNACYP2C9
Hydrochloric Acid SCHEMBL10536081 0.99 PTGS2 (0.59) PTGS2FAAHPTGS1LMNACYP2C9
SCHEMBL17084613 0.87 PTGS2 (0.56) PTGS2FAAHPTGS1LMNACYP2C9
SCHEMBL15932250 0.86 PTGS2 (0.56) PTGS2FAAHPTGS1LMNACYP2C9
Ibuprofen Trelamine SCHEMBL30345799 0.86 PTGS2 (0.57) PTGS2FAAHPTGS1LMNACYP2C9
Ibuprofen Trelamine SCHEMBL30346084 0.86 PTGS2 (0.57) PTGS2FAAHPTGS1LMNACYP2C9
Ibuprofen Trelamine SCHEMBL2467991 0.86 PTGS2 (0.57) PTGS2FAAHPTGS1LMNACYP2C9
Ibuprofen Trelamine SCHEMBL25249124 0.85 PTGS2 (0.56) PTGS2FAAHPTGS1LMNACYP2C9
SCHEMBL3824048 0.85 PTGS2 (0.56) PTGS2FAAHPTGS1LMNACYP2C9
Ibuprofen Trelamine SCHEMBL2575591 0.85 PTGS2 (0.56) PTGS2FAAHPTGS1LMNACYP2C9

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 20 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210353579-A1 HIGH PENETRATION COMPOSITIONS AND USES THEREOF TECHFIELDS PHARMA CO LTD (CN) 2021-11-18 — — US claimed
US-20090238763-A1 HIGH PENETRATION COMPOSITIONS AND USES THEREOF TECHFIELDS PHARMA CO., LTD. (CN) 2009-09-24 — — US claimed
EP-0298890-A2 New 2-(P-isobutylphenyl)-propionic acid ester and process for the preparation thereof Sune Coma, Nuria (ES) 1989-01-11 — — EP claimed
US-20210353579-A1 HIGH PENETRATION COMPOSITIONS AND USES THEREOF TECHFIELDS PHARMA CO LTD (CN) 2021-11-18 — — US disclosed
US-9962369-B2 Methods and compositions for transdermal delivery SPRAYABLE HOLDINGS, INC. (US) 2018-05-08 — — US disclosed
US-9872846-B2 High penetration compositions and uses thereof TECHFIELDS PHARMA CO., LTD. (CN) 2018-01-23 — — US disclosed
US-20170209585-A1 HIGH PENETRATION COMPOSITIONS AND USES THEREOF TECHFIELDS PHARMA CO LTD (CN) 2017-07-27 — — US disclosed
US-20170209404-A1 HIGH PENETRATION COMPOSITIONS AND USES THEREOF PREMIER RESEARCH INTERNATIONAL, LLC 2017-07-27 — — US 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
US-20160009733-A1 REGULATION OF NITRIC OXIDE RELEASE AND BIOFILM DEVELOPMENT UNIVERSITY OF WOLLONGONG (AU) 2016-01-14 — — US 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-9156855-B2 Regulation of nitric oxide release and biofilm development Newsouth Innovation Pty Limited (AU) 2015-10-13 — — US disclosed
US-20150250884-A1 METHODS AND COMPOSITIONS FOR TRANSDERMAL DELIVERY SPRAYABLE HOLDINGS, INC. 2015-09-10 — — US disclosed
US-20140256749-A1 METHODS AND COMPOSITIONS FOR TRANSDERMAL DELIVERY OF CAFFEINE IN THE FORM OF SOLUTIONS OR SUSPENSIONS SPRAYABLE HOLDINGS, INC. 2014-09-11 — — US disclosed
US-20140221331-A1 REGULATION OF NITRIC OXIDE RELEASE AND BIOFILM DEVELOPMENT UNIVERSITY OF WOLLONGONG (AU) 2014-08-07 — — US disclosed
US-20090238763-A1 HIGH PENETRATION COMPOSITIONS AND USES THEREOF TECHFIELDS PHARMA CO., LTD. (CN) 2009-09-24 — — US disclosed
EP-0298890-A3 NEW 2-(P-ISOBUTYLPHENYL)-PROPIONIC ACID ESTER AND PROCESS FOR THE PREPARATION THEREOF Sune Coma, Nuria (ES) 1989-10-18 — — EP disclosed
EP-0298890-A2 New 2-(P-isobutylphenyl)-propionic acid ester and process for the preparation thereof Sune Coma, Nuria (ES) 1989-01-11 — — EP disclosed
EP-0298890-A2 New 2-(P-isobutylphenyl)-propionic acid ester and process for the preparation thereof Sune Coma, Nuria (ES) 1989-01-11 — — EP disclosed
US-4150137-A ANTIINFLAMMATORY, ANTIPYRETIC, AND ANALGESIC AGENTS HISAMITSU PHARMACEUTICAL CO. INC. (JP) 1979-04-17 — — 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-20140256749-A1 METHODS AND COMPOSITIONS FOR TRANSDERMAL DELIVERY OF CAFFEINE IN THE FORM OF SOLUTIONS OR SUSPENSIONS TES, CCR7, CES2 PTGS2 2108/4885FAAH 56/4885PTGS1 2486/4885
US-20150250884-A1 METHODS AND COMPOSITIONS FOR TRANSDERMAL DELIVERY VDR, CYP27B1, TTPA PTGS2 980/4885FAAH 596/4885PTGS1 742/4885
US-20160009733-A1 REGULATION OF NITRIC OXIDE RELEASE AND BIOFILM DEVELOPMENT NOS1, NOS2, NOS3 PTGS2 111/4885FAAH 1740/4885PTGS1 72/4885
US-20140221331-A1 REGULATION OF NITRIC OXIDE RELEASE AND BIOFILM DEVELOPMENT NOS1, NOS2, NOS3 PTGS2 111/4885FAAH 1740/4885PTGS1 72/4885
US-20160317435-A1 METHODS AND COMPOSITIONS FOR TRANSDERMAL DELIVERY OF CAFFEINE IN THE FORM OF SOLUTIONS OR SUSPENSIONS TES, CCR7, CES2 PTGS2 2108/4885FAAH 56/4885PTGS1 2486/4885
US-20170209404-A1 HIGH PENETRATION COMPOSITIONS AND USES THEREOF HPGDS, PTGIS, PTGES PTGS2 7/4885FAAH 381/4885PTGS1 4/4885
US-20210353579-A1 HIGH PENETRATION COMPOSITIONS AND USES THEREOF HPGDS, PTGIS, PTGES PTGS2 7/4885FAAH 381/4885PTGS1 4/4885
US-20170209585-A1 HIGH PENETRATION COMPOSITIONS AND USES THEREOF HPGDS, PTGIS, PTGES PTGS2 7/4885FAAH 381/4885PTGS1 4/4885
US-20090238763-A1 HIGH PENETRATION COMPOSITIONS AND USES THEREOF HPGDS, PTGIS, PTGES PTGS2 7/4885FAAH 381/4885PTGS1 4/4885

“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.

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