SCHEMBL338444

SCHEMBL338444

CC(=O)OC(=O)CCCCCCCCC(=O)OC(C)=O

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.47
TSHR P16473 2/20 0.47
PTGS1 P23219 1/20 0.45
DGKA P23743 1/20 0.44
LMNA P02545 3/20 0.41
PAM P19021 2/20 0.40
HSD17B10 Q99714 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
PRKCA P17252 2/20 0.39
MAPT P10636 1/20 0.39
MAPK1 P28482 1/20 0.39
PAOX Q6QHF9 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
SCHEMBL7845680 1.00 ALDH1A1 (0.47) ALDH1A1TSHRPTGS1DGKALMNA
SCHEMBL28329758 1.00 ALDH1A1 (0.47) ALDH1A1TSHRPTGS1DGKALMNA
SCHEMBL1539244 1.00 ALDH1A1 (0.47) ALDH1A1TSHRPTGS1DGKALMNA
SCHEMBL1539265 1.00 ALDH1A1 (0.47) ALDH1A1TSHRPTGS1DGKALMNA
SCHEMBL28687285 1.00 ALDH1A1 (0.47) ALDH1A1TSHRPTGS1DGKALMNA
SCHEMBL11514647 1.00 ALDH1A1 (0.47) ALDH1A1TSHRPTGS1DGKALMNA
SCHEMBL614868 0.97 TSHR (0.50) ALDH1A1TSHRPTGS1DGKALMNA
SCHEMBL4759428 0.92 TSHR (0.52) ALDH1A1TSHRPTGS1DGKALMNA
SCHEMBL2235744 0.91 DGKA (0.59) ALDH1A1TSHRDGKALMNAPAM
SCHEMBL22126637 0.91 DGKA (0.59) ALDH1A1TSHRDGKALMNAPAM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240020529-A1 PCT/US21/056841 ISP INVESTMENTS LLC (US) 2024-01-18 US claimed
EP-4236953-A1 METHOD AND SYSTEM FOR PREDICTING PROPERTIES OF AMORPHOUS SOLID DISPERSIONS USING MACHINE LEARNING ISP Investments LLC (US) 2023-09-06 EP claimed
CN-116456964-A Method and system for predicting amorphous solid dispersion characteristics using machine learning 埃斯普投资有限公司 2023-07-18 CN claimed
WO-2022093951-A1 METHOD AND SYSTEM FOR PREDICTING PROPERTIES OF AMORPHOUS SOLID DISPERSIONS USING MACHINE LEARNING ISP INVESTMENTS LLC (US) 2022-05-05 WO claimed
WO-2022036033-A2 SOLID STATE FORMS OF AN ORGANIC COMPOUND SERVIER PHARMACEUTICALS, LLC (US) 2022-02-17 WO claimed
US-20200397756-A1 A STABLE PHARMACEUTICAL COMPOSITION OF POORLY SOLUBLE NONSTEROIDAL ANTIANDROGENS KASHIV BIOSCIENCES, LLC 2020-12-24 US claimed
WO-2019155416-A2 A STABLE PHARMACEUTICAL COMPOSITION OF POORLY SOLUBLE NONSTEROIDAL ANTIANDROGENS KASHIV PHARMA LLC (US) 2019-08-15 WO claimed
US-11911463-B2 Topical hyper-allergenic composition and method of treating using the same ALLEAMIT INC. 2024-02-27 US disclosed
US-20240020529-A1 PCT/US21/056841 ISP INVESTMENTS LLC (US) 2024-01-18 US disclosed
US-20230364247-A1 NON-LINEAR MULTIBLOCK COPOLYMER-DRUG CONJUGATES FOR THE DELIVERY OF ACTIVE AGENTS THE JOHNS HOPKINS UNIVERSITY 2023-11-16 US disclosed
EP-4236953-A1 METHOD AND SYSTEM FOR PREDICTING PROPERTIES OF AMORPHOUS SOLID DISPERSIONS USING MACHINE LEARNING ISP Investments LLC (US) 2023-09-06 EP disclosed
CN-116456964-A Method and system for predicting amorphous solid dispersion characteristics using machine learning 埃斯普投资有限公司 2023-07-18 CN disclosed
US-11660349-B2 Non-linear multiblock copolymer-drug conjugates for the delivery of active agents THE JOHNS HOPKINS UNIVERSITY (US) 2023-05-30 US disclosed
WO-2008079404-A2 PHARMACEUTICAL COMPOSITIONS FOR TREATMENT OF PARKINSON'S DISEASE AND RELATED DISORDERS COMBINATORX, INCORPORATED (US) 2008-07-03 WO disclosed
US-7297347-B2 Polyanhydrides EFRAT BIOPOLYMERS LTD (IL) 2007-11-20 US disclosed
EP-0972776-B1 A phosphine sulfide, a manufacturing process therefor and a use thereof MITSUI CHEMICALS INC (JP) 2003-04-23 EP disclosed
EP-0850049-B1 COMPOSITION FOR PH-DEPENDENT CONTROLLED RELEASE OF ACTIVE INGREDIENTS AND METHODS FOR PRODUCING IT POLYMER COREX KUOPIO LTD OY (FI) 2002-06-26 EP disclosed
US-6153794-A Phosphine sulfide, a manufacturing process therefor and use thereof MITSUI CHEMICALS, INC. (JP) 2000-11-28 US disclosed
EP-0972776-A1 A phosphine sulfide, a manufacturing process therefor and a use thereof Mitsui Chemicals, Inc. (JP) 2000-01-19 EP disclosed
US-5656292-A RELEASE AGENT STARCH SUBSTITUTED WITH ACETATE AND DICARBOXYLATE RESIDUES ALKO GROUP LTD. (FI) 1997-08-12 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 (3 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-11660349-B2 Non-linear multiblock copolymer-drug conjugates for the delivery of active agents VEGFA, UACA, PDE6A ALDH1A1 1084/4885TSHR 3190/4885PTGS1 241/4885
US-20230364247-A1 NON-LINEAR MULTIBLOCK COPOLYMER-DRUG CONJUGATES FOR THE DELIVERY OF ACTIVE AGENTS VEGFA, UACA, PDE6A ALDH1A1 1084/4885TSHR 3190/4885PTGS1 241/4885
US-20200397756-A1 A STABLE PHARMACEUTICAL COMPOSITION OF POORLY SOLUBLE NONSTEROIDAL ANTIANDROGENS AR, SHBG, SULT2A1 ALDH1A1 260/4885TSHR 4530/4885PTGS1 63/4885

“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.