SCHEMBL580438

SCHEMBL580438

O=C(O)CCCCCCCCCC[C@H]1C=CCC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.63
TDP1 Q9NUW8 4/20 0.63
ALOX15 P16050 2/20 0.63
USP2 O75604 1/20 0.63
TSHR P16473 5/20 0.45
LMNA P02545 3/20 0.45
HSD17B10 Q99714 3/20 0.45
PMP22 Q01453 2/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
CYP2C9 P11712 1/20 0.45
NR1I2 O75469 1/20 0.45
POLB P06746 1/20 0.45
THRB P10828 1/20 0.45
ACHE P22303 1/20 0.45
APEX1 P27695 1/20 0.45
RECQL P46063 1/20 0.45
BLM P54132 1/20 0.45
SAE1 Q9UBE0 1/20 0.45
UBA2 Q9UBT2 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
SCHEMBL29517121 1.00 ALDH1A1 (0.63) ALDH1A1TDP1ALOX15USP2TSHR
Chaulmoogric Acid SCHEMBL560850 1.00 ALDH1A1 (0.63) ALDH1A1TDP1ALOX15USP2TSHR
Chaulmoogric Acid SCHEMBL560848 1.00 ALDH1A1 (0.63) ALDH1A1TDP1ALOX15USP2TSHR
Chaulmoogric Acid SCHEMBL560849 1.00 ALDH1A1 (0.63) ALDH1A1TDP1ALOX15USP2TSHR
SCHEMBL2491883 1.00 ALDH1A1 (0.63) ALDH1A1TDP1ALOX15USP2TSHR
SCHEMBL580439 1.00 ALDH1A1 (0.63) ALDH1A1TDP1ALOX15USP2TSHR
SCHEMBL4558351 1.00 ALDH1A1 (0.63) ALDH1A1TDP1ALOX15USP2TSHR
SCHEMBL2494531 1.00 ALDH1A1 (0.63) ALDH1A1TDP1ALOX15USP2TSHR
SCHEMBL17540730 0.98 ALDH1A1 (0.60) ALDH1A1TDP1ALOX15USP2TSHR
Chaulmoogric Acid SCHEMBL15865192 0.95 ALDH1A1 (0.62) ALDH1A1TDP1ALOX15USP2TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116660397-A Quality detection method of musk or musk extract for treating acute ischemic stroke 成都中医药大学 2023-08-29 CN claimed
CN-111110686-A Application of fructose diphosphate in preparing medicine for treating affective disorder 四川大学华西医院 2020-05-08 CN claimed
US-9931289-B2 Cosmetic or pharmaceutical formulation FORWARD SCOUT ENTERPRISES PTY LTD (AU) 2018-04-03 US claimed
US-20150328323-A1 Nitric Oxide Releasing Produgs of Therapeutic Agents SATYAM APPARAO (IN) 2015-11-19 US claimed
CN-102482424-B Silicone-modified fatty acids, method for the production and use thereof MOMENTIVE PERFORMANCE MAT INC 2015-06-10 CN claimed
US-8993117-B2 Devices with multiple surface functionality THE TRUSTEES OF PRINCETON UNIVERSITY (US) 2015-03-31 US claimed
US-8846843-B2 Silicone modified fatty acids, method of preparation and usage thereof MOMENTIVE PERFORMANCE MATERIALS INC. (US) 2014-09-30 US claimed
WO-2014111957-A1 NITRIC OXIDE RELEASING PRODRUGS OF THERAPEUTIC AGENTS SATYAM APPARAO (IN) 2014-07-24 WO claimed
EP-2473550-B1 SILICONE MODIFIED FATTY ACIDS, METHOD OF PREPARATION AND USAGE THEREOF MOMENTIVE PERFORMANCE MAT INC (US) 2014-05-07 EP claimed
US-20140037772-A1 Cosmetic or Pharmaceutical Formulation FORWARD SCOUT ENTERPRISES PTY LTD (AU) 2014-02-06 US claimed
WO-2012116391-A1 COSMETIC OR PHARMACEUTICAL FORMULATION LIEN WENDY (AU) 2012-09-07 WO claimed
EP-2473550-A1 SILICONE MODIFIED FATTY ACIDS, METHOD OF PREPARATION AND USAGE THEREOF Momentive Performance Materials Inc. (US) 2012-07-11 EP claimed
CN-102482424-A Silicone-modified fatty acids, method for the production and use thereof MOMENTIVE PERFORMANCE MAT INC 2012-05-30 CN claimed
US-20120121661-A1 DEVICES WITH MULTIPLE SURFACE FUNCTIONALITY THE TRUSTEES OF PRINCETON UNIVERSITY (US) 2012-05-17 US claimed
WO-2011132171-A1 NITRIC OXIDE RELEASING PRODRUGS OF THERAPEUTIC AGENTS PIRAMAL LIFE SCIENCES LIMITED (IN) 2011-10-27 WO claimed
US-20110263526-A1 Nitric Oxide Releasing Prodrugs of Therapeutic Agents PIRAMAL LIFE SCIENCES LIMITED (IN) 2011-10-27 US claimed
WO-2011080722-A2 USE OF SKIN PERMEATION AND RETENTION ENHANCER COMPOUND IN COSMETIC AND PHARMACEUTICAL COMPOSITIONS AND COSMETIC AND PHARMACEUTICAL PRODUCTS CONTAINING SAID COMPOUND NATURA COSMETICOS S.A (BR) 2011-07-07 WO claimed
WO-2011028214-A1 SILICONE MODIFIED FATTY ACIDS, METHOD OF PREPARATION AND USAGE THEREOF MOMENTIVE PERFORMANCE MATERIALS INC. (US) 2011-03-10 WO claimed
US-20100040570-A1 SILICONE MODIFIED FATTY ACIDS, METHOD OF PREPARATION AND USAGE THEREOF MOMENTIVE PERFORMANCE MATERIALS INC. (US) 2010-02-18 US claimed
WO-2000022909-A2 SYSTEMS FOR ORAL DELIVERY BIOTECH AUSTRALIA PTY. LIMITED (AU) 2000-04-27 WO claimed

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-20140037772-A1 Cosmetic or Pharmaceutical Formulation HM13, MMP13, CD44 ALDH1A1 2825/4885TDP1 3542/4885ALOX15 171/4885
US-20100040570-A1 SILICONE MODIFIED FATTY ACIDS, METHOD OF PREPARATION AND USAGE THEREOF FASN, ELOVL5, SCD5 ALDH1A1 1282/4885TDP1 4749/4885ALOX15 35/4885
US-20110263526-A1 Nitric Oxide Releasing Prodrugs of Therapeutic Agents NOS2, NOS1, NOS3 ALDH1A1 204/4885TDP1 1017/4885ALOX15 233/4885
US-20120121661-A1 DEVICES WITH MULTIPLE SURFACE FUNCTIONALITY PHOSPHO1, CD44, SELP ALDH1A1 2513/4885TDP1 1536/4885ALOX15 2852/4885
US-20150328323-A1 Nitric Oxide Releasing Produgs of Therapeutic Agents NOS2, NOS1, PTGIS ALDH1A1 291/4885TDP1 794/4885ALOX15 230/4885

“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.