SCHEMBL4357671

SCHEMBL4357671

OCCCCCCCC(Cl)Cl

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.38
ALDH1A1 P00352 1/20 0.38
HSD17B10 Q99714 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
TSHR P16473 1/20 0.38
MIF P14174 1/20 0.35
GPR84 Q9NQS5 1/20 0.33
FFAR1 O14842 1/20 0.33
FFAR4 Q5NUL3 1/20 0.33
SMN1; SMN2 Q16637 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
SCHEMBL28024008 1.00 LMNA (0.38) LMNAALDH1A1HSD17B10MEN1KMT2A
SCHEMBL9816467 1.00
SCHEMBL28023941 1.00 LMNA (0.38) LMNAALDH1A1HSD17B10MEN1KMT2A
SCHEMBL7370616 1.00 LMNA (0.38) LMNAALDH1A1HSD17B10MEN1KMT2A
SCHEMBL832715 0.97
SCHEMBL1459306 0.87
SCHEMBL2568120 0.83
SCHEMBL20494560 0.83
SCHEMBL2565575 0.83
Butyl Alcohol SCHEMBL10564523 0.82 LMNA (0.55) LMNAALDH1A1HSD17B10MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114316102-A Alkoxy magnesium carrier, polyethylene catalyst and preparation method thereof 北京吉海川科技发展有限公司 2022-04-12 CN disclosed
US-7618968-B2 Aryl triazines as LPAAT-β inhibitors and uses thereof CELL THERAPEUTICS, INC. (US) 2009-11-17 US disclosed
US-20080064700-A1 Aryl triazines as LPAAT-beta inhibitors and uses thereof CELL THERAPEUTICS, INC. (US) 2008-03-13 US disclosed
EP-1556384-B1 PYRIMIDO COMPOUNDS HAVING ANTIPROLIFERATIVE ACTIVITY HOFFMANN LA ROCHE (CH) 2008-02-20 EP disclosed
US-7291616-B2 Aryl triazines as LPAAT-β inhibitors and uses thereof CELL THERAPEUTICS, INC. (US) 2007-11-06 US disclosed
US-7084270-B2 Pyrimido compounds having antiproliferative activity HOFFMAN-LA ROCHE INC. (US) 2006-08-01 US disclosed
EP-1556384-A2 PYRIMIDO COMPOUNDS HAVING ANTIPROLIFERATIVE ACTIVITY F. HOFFMANN-LA ROCHE AG (CH) 2005-07-27 EP disclosed
WO-2004018472-A2 PYRIMIDO COMPOUNDS HAVING ANTIPROLIFERATIVE ACTIVITY F. HOFFMANN-LA ROCHE AG (CH) 2004-03-04 WO disclosed
US-20040038995-A1 Pyrimido compounds having antiproliferative activity CHEN YI (US) 2004-02-26 US disclosed
US-20030153570-A1 Aryl triazines as LPAAT-SS inhibitors and uses thereof CELL THERAPEUTICS, INC. (US) 2003-08-14 US disclosed
EP-0611756-A2 Alcohol or aldehyde derivatives as cathepsin L inhibitor and bone resorption inhibitor TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1994-08-24 EP disclosed
WO-1993017025-A1 3-SUBSTITUTED IMIDAZO(1,5-A)QUINOXALINES AND QUINAZOLINES WITH CNS ACTIVITY THE UPJOHN COMPANY (US) 1993-09-02 WO disclosed
WO-1993010097-A1 NITRO COMPOUNDS HAVING VASODILATOR ACTIVITY FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1993-05-27 WO disclosed
US-5043459-A Saccharoascorbic acid derivatives and production thereof TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1991-08-27 US disclosed
EP-0381472-A1 Saccharoascorbic acid derivatives and production thereof Takeda Chemical Industries, Ltd. (JP) 1990-08-08 EP disclosed
US-4892873-A MUSCLE RELAXANTS, ANTIEPILEPTIC, AN XIOLYTIC AGENTS AMERICAN CYANAMID COMPANY (US) 1990-01-09 US disclosed
US-4843082-A 1,2,3,4-tetrahydro-8-quinolinol derivatives and anti-allergic use thereof E. R. SQUIBB & SONS, INC. (US) 1989-06-27 US disclosed
US-4767765-A ANXIOLYTIC OR ANTIEPILEPTIC AGENTS AMERICAN CYANAMID COMPANY (US) 1988-08-30 US disclosed
EP-0223974-A1 N-Substituted-N-[3-(1,2,4-triazolo[4,3-b]pyridazin-6-yl)-phenyl]alkanamides, carbamates and ureas AMERICAN CYANAMID COMPANY (US) 1987-06-03 EP disclosed
US-4654343-A USEFUL AS ANXIOLYTIC OR ANTIEPILEPTIC AGENTS AS WELL AS SEDATIVE-HYPNOTIC AND SKELETAL MUSCLE RELAXANT AGENTS AMERICAN CYANAMID COMPANY (US) 1987-03-31 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-20030153570-A1 Aryl triazines as LPAAT-SS inhibitors and uses thereof LPCAT3, LPCAT1, PLAAT2 LMNA 2509/4885ALDH1A1 1286/4885HSD17B10 887/4885
US-20040038995-A1 Pyrimido compounds having antiproliferative activity LCK, FGFR1, FGFR3 LMNA 4818/4885ALDH1A1 1477/4885HSD17B10 3225/4885
US-20080064700-A1 Aryl triazines as LPAAT-beta inhibitors and uses thereof LPCAT3, LPCAT1, PLAAT2 LMNA 1865/4885ALDH1A1 827/4885HSD17B10 797/4885

“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.