SCHEMBL382827

SCHEMBL382827

CC(C)(C)c1cc(B(O)O)ccc1N1CCCC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RBP4 P02753 3/20 0.39
RARA P10276 3/20 0.39
RARB P10826 3/20 0.39
RARG P13631 3/20 0.39
ALDH1A1 P00352 4/20 0.36
MAPT P10636 3/20 0.36
MEN1 O00255 2/20 0.36
THRB P10828 2/20 0.36
KMT2A Q03164 2/20 0.36
GAA P10253 1/20 0.36
NR4A1 P22736 1/20 0.36
PTK2B Q14289 1/20 0.36
ALDH1A3 P47895 2/20 0.34
KDM4E B2RXH2 2/20 0.33
TDP1 Q9NUW8 1/20 0.33
NOTUM Q6P988 1/20 0.33
POLB P06746 1/20 0.33
ALOX15 P16050 1/20 0.33
GFER P55789 1/20 0.33
YWHAG P61981 1/20 0.33

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
SCHEMBL382066 0.84 NOTUM (0.48) NOTUM
SCHEMBL12648860 0.83 NOTUM (0.47) NOTUM
SCHEMBL25041085 0.81 RARA (0.38) RBP4RARARARBRARGALDH1A1
SCHEMBL12595748 0.77 ALDH1A1 (0.53) ALDH1A1MAPTMEN1THRBKMT2A
SCHEMBL19937820 0.75 ALDH1A1 (0.53) RBP4RARARARBRARGALDH1A1
SCHEMBL15726858 0.75 ALDH1A1 (0.45) RBP4RARARARBRARGALDH1A1
SCHEMBL382856 0.75 RBP4 (0.58) RBP4RARARARBRARGALDH1A1
SCHEMBL14200003 0.75 CYP2C9 (0.41) RBP4RARARARBRARGALDH1A1
SCHEMBL18706439 0.75 ALDH1A1 (0.51) ALDH1A1MAPTMEN1KMT2AGAA
SCHEMBL2098528 0.73 RBP4 (0.57) RBP4RARARARBRARGALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230278956-A1 PREPARATION OF TRIFAROTENE AND INTERMEDIATES AND POLYMORPHS THEREOF TARO PHARMACEUTICAL INDUSTRIES LTD. (IL) 2023-09-07 US disclosed
US-20230278956-A1 PREPARATION OF TRIFAROTENE AND INTERMEDIATES AND POLYMORPHS THEREOF TARO PHARMACEUTICAL INDUSTRIES LTD. (IL) 2023-09-07 US disclosed
US-11691946-B2 Preparation of Trifarotene and intermediates and polymorphs thereof TARO PHARMACEUTICAL INDUSTRIES LTD. (IL) 2023-07-04 US disclosed
US-11691946-B2 Preparation of Trifarotene and intermediates and polymorphs thereof TARO PHARMACEUTICAL INDUSTRIES LTD. (IL) 2023-07-04 US disclosed
US-20230051259-A1 PREPARATION OF TRIFAROTENE AND INTERMEDIATES AND POLYMORPHS THEREOF TARO PHARMACEUTICAL INDUSTRIES LTD. (IL) 2023-02-16 US disclosed
CN-114787129-A Preparation of trefarosin and intermediates and polymorphs thereof 塔罗制药工业有限公司 2022-07-22 CN disclosed
CN-113816925-A A trematopsin 3 \"-tert-butyl-4 '- (2-hydroxyethoxy) -4\" -pyrrolidin-1-yl [1, 1'; process for preparing 3 ', 1' ] -terphenyl-4-carboxylic acid 中国药科大学 2021-12-21 CN disclosed
WO-2021119351-A1 PREPARATION OF TRIFAROTENE AND INTERMEDIATES AND POLYMORPHS THEREOF TARO PHARMACEUTICAL INDUSTRIES LTD. (IL) 2021-06-17 WO disclosed
WO-2021104515-A1 SUBSTITUTED M-TERPHENYL COMPOUND AND PHARMACEUTICAL COMPOSITION AND USE THEREOF 迪斯凯威(深圳)新药发展有限公司 2021-06-03 WO disclosed
US-8470871-B2 Ligands that modulate RAR receptors GALDERMA RESEARCH & DEVELOPMENT (FR) 2013-06-25 US disclosed
US-20120258996-A1 NOVEL LIGANDS THAT MODULATE RAR RECEPTORS GALDERMA RESEARCH & DEVELOPMENT (FR) 2012-10-11 US disclosed
US-8227507-B2 Ligands that modulate RAR receptors GALDERMA RESEARCH & DEVELOPMENT (FR) 2012-07-24 US disclosed
EP-1831149-B1 NOVEL LIGANDS THAT MODULATE RAR RECEPTORS AND USE THEREOF IN HUMAN MEDICINE AND IN COSMETICS GALDERMA RES & DEV (FR) 2012-01-25 EP disclosed
US-20100292296-A1 NOVEL LIGANDS THAT MODULATE RAR RECEPTORS GALDERMA RESEARCH & DEVELOPMENT (FR) 2010-11-18 US disclosed
US-7807708-B2 Ligands that modulate RAR receptors and pharmaceutical/cosmetic compositions comprised thereof GALDERMA RESEARCH & DEVELOPMENT (FR) 2010-10-05 US disclosed
US-20080015246-A1 Novel ligands that modulate RAR receptors and pharmaceutical/cosmetic compositions comprised thereof GALDERMA RESEARCH & DEVELOPMENT (FR) 2008-01-17 US disclosed
EP-1831149-A1 NOVEL LIGANDS THAT MODULATE RAR RECEPTORS AND USE THEREOF IN HUMAN MEDICINE AND IN COSMETICS GALDERMA RESEARCH & DEVELOPMENT (FR) 2007-09-12 EP disclosed
WO-2006066978-A1 NOVEL LIGANDS THAT MODULATE RAR RECEPTORS, AND USE THEREOF IN HUMAN MEDICINE AND IN COSMETICS GALDERMA RESEARCH & DEVELOPMENT (FR) 2006-06-29 WO 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-20230051259-A1 PREPARATION OF TRIFAROTENE AND INTERMEDIATES AND POLYMORPHS THEREOF UGT1A4, TBK1, UGT1A7 RBP4 3120/4885RARA 640/4885RARB 461/4885
US-20230278956-A1 PREPARATION OF TRIFAROTENE AND INTERMEDIATES AND POLYMORPHS THEREOF UGT1A4, TBK1, UGT1A7 RBP4 3120/4885RARA 640/4885RARB 461/4885
US-20080015246-A1 Novel ligands that modulate RAR receptors and pharmaceutical/cosmetic compositions comprised thereof RARB, RARA, RARG RBP4 37/4885RARA 2/4885RARB 1/4885
US-20120258996-A1 NOVEL LIGANDS THAT MODULATE RAR RECEPTORS RARB, RARA, RARG RBP4 42/4885RARA 2/4885RARB 1/4885
US-11691946-B2 Preparation of Trifarotene and intermediates and polymorphs thereof UGT1A4, TBK1, UGT1A7 RBP4 3120/4885RARA 640/4885RARB 461/4885
US-20100292296-A1 NOVEL LIGANDS THAT MODULATE RAR RECEPTORS RARB, RARA, RARG RBP4 42/4885RARA 2/4885RARB 1/4885

“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.