SCHEMBL3748979

SCHEMBL3748979

O=C(C(=O)c1ccccc1N=C=S)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 13/20 0.48
CES1 P23141 11/20 0.48
ALDH1A1 P00352 3/20 0.41
TDP1 Q9NUW8 2/20 0.41
ABCB11 O95342 1/20 0.41
NR3C1 P04150 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
ADRA2A P08913 1/20 0.41
ADORA3 P0DMS8 1/20 0.41
HPGD P15428 1/20 0.41
ALOX15 P16050 1/20 0.41
ADRA2C P18825 1/20 0.41
MAOA P21397 1/20 0.41
DRD1 P21728 1/20 0.41
SLC6A4 P31645 1/20 0.41
HTR2B P41595 1/20 0.41
CCR2 P41597 1/20 0.41
HSD17B10 Q99714 1/20 0.41
MIF P14174 1/20 0.39

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
SCHEMBL5145030 0.84 AKR1C3 (0.50) ALDH1A1TDP1ABCB11NR3C1CYP1A2
SCHEMBL3415350 0.84 CES2 (0.50) CES2CES1ALDH1A1TDP1CYP3A4
SCHEMBL1110888 0.82 ALDH1A1 (0.50) ALDH1A1TDP1ABCB11NR3C1CYP1A2
SCHEMBL6836218 0.80 CES2 (0.58) CES2CES1ALDH1A1ALOX15RAB9A
SCHEMBL14033994 0.77 ALDH1A1 (0.45) ALDH1A1TDP1ABCB11NR3C1CYP1A2
SCHEMBL6573452 0.77 ALDH1A1 (0.44) CES2CES1ALDH1A1TDP1ABCB11
SCHEMBL29498981 0.76 AKR1C3 (0.44) ALDH1A1TDP1ABCB11NR3C1CYP1A2
SCHEMBL28285905 0.76 AKR1C3 (0.44) ALDH1A1TDP1ABCB11NR3C1CYP1A2
SCHEMBL8574337 0.74 CES2 (0.78) CES2CES1ALDH1A1ALOX15RAB9A
SCHEMBL28373751 0.73 MAPT (0.54) ALDH1A1TDP1CYP1A2CYP3A4ADORA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210289832-A1 LIPOPHILIC ACTIVE AGENT INFUSED TOBACCO LEAVES AND/OR TOBACCO MATERIALS AND METHODS OF USE THEREOF Poviva Corp. (US) 2021-09-23 US disclosed
EP-3849347-A1 LIPOPHILIC ACTIVE AGENT INFUSED TOBACCO LEAVES AND/OR TOBACCO MATERIALS AND METHODS OF USE THEREOF Poviva Corp. (US) 2021-07-21 EP disclosed
US-20210213091-A1 LIPOPHILIC ACTIVE AGENT INFUSED TOBACCO LEAVES AND/OR TOBACCO MATERIALS AND METHODS OF USE THEREOF Poviva Corp. (US) 2021-07-15 US disclosed
US-20210145036-A1 LIPOPHILIC ACTIVE AGENT INFUSED COMPOSITIONS WITH REDUCED FOOD EFFECT Poviva Corp. 2021-05-20 US disclosed
US-20210145841-A1 ENHANCEMENT OF DELIVERY OF LIPOPHILIC ACTIVE AGENTS ACROSS THE BLOOD-BRAIN BARRIER AND METHODS FOR TREATING CENTRAL NERVOUS SYSTEM DISORDERS Poviva Corp. 2021-05-20 US disclosed
EP-3810135-A1 ENHANCEMENT OF DELIVERY OF LIPOPHILIC ACTIVE AGENTS ACROSS THE BLOOD-BRAIN BARRIER AND METHODS FOR TREATING CENTRAL NERVOUS SYSTEM DISORDERS Poviva Corp. (US) 2021-04-28 EP disclosed
EP-3780976-A1 LIPOPHILIC ACTIVE AGENT INFUSED COMPOSITIONS WITH REDUCED FOOD EFFECT Poviva Corp. (US) 2021-02-24 EP disclosed
US-20210045998-A1 TRANSDERMAL AND/OR DERMAL DELIVERY OF LIPOPHILIC ACTIVE AGENTS Poviva Corp. 2021-02-18 US disclosed
EP-3765088-A1 TRANSDERMAL AND/OR DERMAL DELIVERY OF LIPOPHILIC ACTIVE AGENTS Poviva Corp. (US) 2021-01-20 EP disclosed
US-20200178572-A1 MICROWAVE PROCESSING METHODS FOR FORMULATING ORALLY INGESTIBLE COMPOSITIONS COMPRISING LIPOPHILIC ACTIVE AGENTS Poviva Corp. 2020-06-11 US disclosed
WO-2020056344-A1 LIPOPHILIC ACTIVE AGENT INFUSED TOBACCO LEAVES AND/OR TOBACCO MATERIALS AND METHODS OF USE THEREOF POVIVA TEA, LLC (US) 2020-03-19 WO disclosed
WO-2019204502-A1 LIPOPHILIC ACTIVE AGENT INFUSED COMPOSITIONS WITH REDUCED FOOD EFFECT POVIVA TEA, LLC (US) 2019-10-24 WO disclosed
WO-2019178360-A1 TRANSDERMAL AND/OR DERMAL DELIVERY OF LIPOPHILIC ACTIVE AGENTS POVIVA TEA, LLC (US) 2019-09-19 WO disclosed
US-7658956-B2 Erectile dysfunction phyto-nutraceutical synergistic composition Olalde Rangel, Jose Angel 2010-02-09 US disclosed
US-20080026082-A1 ERECTYLE DISFUNCTION PHYTO-NUTRACEUTICAL SYNERGISTIC COMPOSITION OLALDE RANGEL JOSE ANGEL 2008-01-31 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-20200178572-A1 MICROWAVE PROCESSING METHODS FOR FORMULATING ORALLY INGESTIBLE COMPOSITIONS COMPRISING LIPOPHILIC ACTIVE AGENTS PNLIP, LIPC, LIPA CES2 2731/4885CES1 1271/4885ALDH1A1 2657/4885
US-20210045998-A1 TRANSDERMAL AND/OR DERMAL DELIVERY OF LIPOPHILIC ACTIVE AGENTS LIPA, MMP8, MMP1 CES2 147/4885CES1 770/4885ALDH1A1 2693/4885
US-20210145036-A1 LIPOPHILIC ACTIVE AGENT INFUSED COMPOSITIONS WITH REDUCED FOOD EFFECT LIPC, PNLIP, LIPA CES2 104/4885CES1 141/4885ALDH1A1 2004/4885
US-20210145841-A1 ENHANCEMENT OF DELIVERY OF LIPOPHILIC ACTIVE AGENTS ACROSS THE BLOOD-BRAIN BARRIER AND METHODS FOR TREATING CENTRAL NERVOUS SYSTEM DISORDERS FABP7, LIPA, LIPC CES2 14/4885CES1 60/4885ALDH1A1 2589/4885
US-20210213091-A1 LIPOPHILIC ACTIVE AGENT INFUSED TOBACCO LEAVES AND/OR TOBACCO MATERIALS AND METHODS OF USE THEREOF MGLL, LIPA, LAMP1 CES2 72/4885CES1 916/4885ALDH1A1 1197/4885

“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.