SCHEMBL6028036

SCHEMBL6028036

Cc1c(C)c2c(c(C)c1O)CCC(C)(CC(=O)O)O2

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.63
TSHR P16473 2/20 0.63
PTGS1 P23219 1/20 0.63
PTGS2 P35354 1/20 0.63
CYP1A2 P05177 1/20 0.63
ALOX5 P09917 6/20 0.60
NR1I2 O75469 2/20 0.58
MAPT P10636 2/20 0.54
LMNA P02545 2/20 0.54
USP2 O75604 2/20 0.54
CYP2C9 P11712 2/20 0.54
MEN1 O00255 1/20 0.54
GSTP1 P09211 1/20 0.54
TTPA P49638 1/20 0.54
KMT2A Q03164 1/20 0.54
THRB P10828 1/20 0.54
CYP2C19 P33261 1/20 0.54
CYP4F2 P78329 1/20 0.47
TP53 P04637 1/20 0.45
ALOX15 P16050 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
SCHEMBL5675007 1.00 CYP3A4 (0.63) CYP3A4TSHRPTGS1PTGS2CYP1A2
SCHEMBL5674832 1.00 CYP3A4 (0.63) CYP3A4TSHRPTGS1PTGS2CYP1A2
Ethane SCHEMBL4283975 0.99 CYP3A4 (0.62) CYP3A4TSHRPTGS1PTGS2CYP1A2
SCHEMBL9655733 0.87 CYP3A4 (0.58) CYP3A4TSHRPTGS1PTGS2CYP1A2
SCHEMBL3090662 0.86 ALOX5 (0.70) CYP3A4TSHRPTGS1PTGS2CYP1A2
SCHEMBL13156991 0.86 ALOX5 (0.70) CYP3A4TSHRPTGS1PTGS2CYP1A2
SCHEMBL13566290 0.86 ALOX5 (0.70) CYP3A4TSHRPTGS1PTGS2CYP1A2
SCHEMBL11707684 0.85 ALOX5 (0.51) CYP3A4TSHRPTGS1PTGS2CYP1A2
SCHEMBL11706911 0.85 ALOX5 (0.51) CYP3A4TSHRPTGS1PTGS2CYP1A2
SCHEMBL8600719 0.85 PTGS1 (0.51) CYP3A4TSHRPTGS1PTGS2CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9976084-B2 Liquid crystal composition, antioxidant and liquid crystal display device JNC CORPORATION (JP) 2018-05-22 US disclosed
US-20140183409-A1 LIQUID CRYSTAL COMPOSITION, ANTIOXIDANT AND LIQUID CRYSTAL DISPLAY DEVICE JNC PETROCHEMICAL CORPORATION (JP) 2014-07-03 US disclosed
US-7038067-B2 Process for synthesizing d-tocotrienols from 2-vinylchromane compound YASOO HEALTH, INC. (US) 2006-05-02 US disclosed
US-20050124688-A1 Process for synthesizing d-tocotrienols from 2-vinylchromane compound YASOO HEALTH, INC. 2005-06-09 US disclosed
US-20050124687-A1 Process for synthesizing d-tocotrienols COULADOUROS ELIAS A (GR) 2005-06-09 US disclosed
WO-2005035491-A2 PROCESS FOR SYNTHESIZING d-TOCOTRIENOLS FROM 2- VINYLCHROMANE COMPOUND YASOO HEALTH, INC. (US) 2005-04-21 WO disclosed
WO-2005035490-A2 PROCESS FOR SYNTHESIZING d-TOCOTRIENOLS YASOO HEALTH, INC. (US) 2005-04-21 WO disclosed
US-6235731-B1 REDUCING BLOOD LIPIDS, SUGARS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-05-22 US disclosed
US-5925673-A PREVENTING OR ALLEVIATING DAMAGE TO MAMMALIAN TISSUES ALCON LABORATORIES, INC. (US) 1999-07-20 US disclosed
WO-1999032474-A1 BENZOFURANS AND BENZOPYRANS AS CYTOPROTECTIVE AGENTS ALCON LABORATORIES, INC. (US) 1999-07-01 WO disclosed
EP-0283946-A1 Novel intermediates useful in preparing vitamin E F. HOFFMANN-LA ROCHE AG (CH) 1988-09-28 EP disclosed
US-4752646-A 2-halochromans HOFFMANN-LA ROCHE INC. (US) 1988-06-21 US disclosed
EP-0235510-A2 3,4-Dihydro-2,5,7,8-tetramethyl-2H-1-benzopyran derivatives and processes for their preparation F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1987-09-09 EP disclosed
US-4208333-A Preparation of chroman-2-acetic acids HOFFMANN-LA ROCHE INC. (US) 1980-06-17 US disclosed
US-4192816-A Mixtures of 3-pentenenitriles and 3-methylene-pentanenitriles HOFFMANN-LA ROCHE INC. (US) 1980-03-11 US disclosed
US-4186138-A Preparation of chroman-2-acetic acids HOFFMANN-LA ROCHE INC. (US) 1980-01-29 US disclosed
US-4026907-A INTERMEDIATES FOR ALPHA-TOCOPHEROL HOFFMANN-LA ROCHE INC. (US) 1977-05-31 US disclosed
US-4018799-A INTERMEDIATES FOR TOCOPHEROL HOFFMANN-LA ROCHE INC. (US) 1977-04-19 US disclosed
US-4003919-A INTERMEDIATES FOR ALPHA-TOCOPHEROL HOFFMANN-LA ROCHE INC. (US) 1977-01-18 US disclosed
US-3947473-A (6-HYDROXY-CHROMAN-2-YL) CARBOXYLIC ACID DERIVATIVES HOFFMAN-LA ROCHE INC. (US) 1976-03-30 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 (2 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-20050124688-A1 Process for synthesizing d-tocotrienols from 2-vinylchromane compound FDFT1, DHCR7, DDT CYP3A4 176/4885TSHR 2099/4885PTGS1 1731/4885
US-20050124687-A1 Process for synthesizing d-tocotrienols UGT8, DDOST, GGPS1 CYP3A4 168/4885TSHR 1217/4885PTGS1 861/4885

“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.