SCHEMBL910364

SCHEMBL910364

COc1ccc([C]=O)c(O)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.53
RAB9A P51151 3/20 0.53
CYP3A4 P08684 4/20 0.52
MAPK1 P28482 4/20 0.52
HPGD P15428 3/20 0.52
ALDH1A1 P00352 3/20 0.52
TRIM24 O15164 1/20 0.52
TYR P14679 1/20 0.52
TRIM33 Q9UPN9 1/20 0.52
ERN1 O75460 1/20 0.47
CYP1A2 P05177 3/20 0.46
LMNA P02545 3/20 0.46
CYP2C19 P33261 3/20 0.46
PGR P06401 2/20 0.46
SLC6A2 P23975 2/20 0.46
ADORA3 P0DMS8 1/20 0.46
AR P10275 1/20 0.46
CHRM1 P11229 1/20 0.46
ALOX15 P16050 1/20 0.46
TBXA2R P21731 1/20 0.46

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
SCHEMBL10993291 0.89 LTA4H (0.55) NPC1RAB9ACYP3A4MAPK1HPGD
SCHEMBL18770386 0.84 ERN1 (0.52) NPC1RAB9ACYP3A4MAPK1HPGD
SCHEMBL11033417 0.81 PTGIR (0.44) NPC1RAB9AALDH1A1MEN1KMT2A
SCHEMBL11508000 0.81 CA12 (0.43) NPC1RAB9ACYP3A4MAPK1HPGD
SCHEMBL976050 0.80 NPC1 (0.48) NPC1RAB9ACYP3A4MAPK1HPGD
SCHEMBL96290 0.78 CA12 (0.56) NPC1CYP3A4HPGDALDH1A1CYP1A2
SCHEMBL2704176 0.78 ACACB (0.43) NPC1RAB9AHPGDALDH1A1CYP1A2
Formaldehyde SCHEMBL8164524 0.77 NPC1 (0.59) NPC1RAB9ACYP3A4MAPK1HPGD
SCHEMBL910590 0.76 CES2 (0.44) ALDH1A1TYRALOX15MEN1KMT2A
SCHEMBL15226652 0.76 ACACB (0.43) NPC1RAB9ACYP1A2PGRAR

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-20230089351-A1 METHODS RELATED TO BIOACTIVE AGENTS THAT CONVERT FROM ANIONS TO MOLECULES Natural Extraction Systems, LLC (US) 2023-03-23 US claimed
WO-2021158573-A1 METHODS RELATED TO BIOACTIVE AGENTS THAT CONVERT FROM ANIONS TO MOLECULES Natural Extraction Systems, LLC (US) 2021-08-12 WO claimed
WO-2021158575-A1 COMPOSITIONS RELATED TO BIOACTIVE AGENTS THAT CONVERT FROM ANIONS TO MOLECULES Natural Extraction Systems, LLC (US) 2021-08-12 WO claimed
US-20050020587-A1 Nicotinamide derivatives useful as PDE4 inhibitors PFIZER INC 2005-01-27 US claimed
US-20230089351-A1 METHODS RELATED TO BIOACTIVE AGENTS THAT CONVERT FROM ANIONS TO MOLECULES Natural Extraction Systems, LLC (US) 2023-03-23 US disclosed
WO-2021158573-A1 METHODS RELATED TO BIOACTIVE AGENTS THAT CONVERT FROM ANIONS TO MOLECULES Natural Extraction Systems, LLC (US) 2021-08-12 WO disclosed
WO-2021158575-A1 COMPOSITIONS RELATED TO BIOACTIVE AGENTS THAT CONVERT FROM ANIONS TO MOLECULES Natural Extraction Systems, LLC (US) 2021-08-12 WO disclosed
US-8937090-B2 Parakeratosis inhibitor, pore-shrinking agent and external composition for skin SHISEIDO COMPANY, LTD. (JP) 2015-01-20 US disclosed
US-20120232111-A1 Parakeratosis inhibitor, pore -shrinking agent and external compositon for skin SHISEIDO COMPANY, LTD. (JP) 2012-09-13 US disclosed
US-20120165409-A1 WRINKLE-IMPROVING AGENT SHISEIDO COMPANY, LTD. (JP) 2012-06-28 US disclosed
US-20110004019-A1 Parakeratosis Inhibitor, Pore-Shrinking Agent, Or Rough Skin Inhibiting/Ameliorating Agent, And External Composition For Skin Containing The Same SHISEIDO COMPANY LTD. (JP) 2011-01-06 US disclosed
EP-2255780-A1 PARAKERATOSIS INHIBITOR, PORE SHRINKING AGENT OR AGENT FOR PREVENTING OR IMPROVING ROUGH SKIN, AND COMPOSITION FOR EXTERNAL USE ON THE SKIN CONTAINING THE SAME Shiseido Company, Ltd. (JP) 2010-12-01 EP disclosed
US-20100035881-A1 WRINKLE-IMPROVING AGENT SHISEIDO COMPANY, LTD. (JP) 2010-02-11 US disclosed
EP-1941861-A1 WRINKLE-IMPROVING AGENT Shiseido Company, Limited (JP) 2008-07-09 EP disclosed
EP-1880711-A1 PARAKERATOSIS INHIBITOR, PORE-SHRINKING AGENT AND EXTERNAL COMPOSITION FOR SKIN Shiseido Company, Limited (JP) 2008-01-23 EP 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 (6 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-20100035881-A1 WRINKLE-IMPROVING AGENT AAAS, GLA, COL14A1 NPC1 3469/4885RAB9A 3240/4885CYP3A4 4513/4885
US-20230089351-A1 METHODS RELATED TO BIOACTIVE AGENTS THAT CONVERT FROM ANIONS TO MOLECULES FABP2, FABP4, GUSB NPC1 105/4885RAB9A 1281/4885CYP3A4 3571/4885
US-20050020587-A1 Nicotinamide derivatives useful as PDE4 inhibitors PDE4A, PDE4B, PDE4D NPC1 2186/4885RAB9A 1591/4885CYP3A4 253/4885
US-20120232111-A1 Parakeratosis inhibitor, pore -shrinking agent and external compositon for skin CUTA, AAAS, NUP160 NPC1 1049/4885RAB9A 4613/4885CYP3A4 4084/4885
US-20110004019-A1 Parakeratosis Inhibitor, Pore-Shrinking Agent, Or Rough Skin Inhibiting/Ameliorating Agent, And External Composition For Skin Containing The Same CUTA, GLRA3, ARGLU1 NPC1 890/4885RAB9A 3714/4885CYP3A4 4236/4885
US-20120165409-A1 WRINKLE-IMPROVING AGENT AAAS, GLA, COL14A1 NPC1 3438/4885RAB9A 3250/4885CYP3A4 4511/4885

“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.