SCHEMBL1064910

SCHEMBL1064910

C=CCCNCCCCC

nearest known ligand 0.62

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.62
ALDH1A1 P00352 2/20 0.62
ADH1B P00325 2/20 0.44
ADH1C P00326 2/20 0.44
ADH1A P07327 2/20 0.44
ADH7 P40394 2/20 0.44
EPHX1 P07099 2/20 0.44
ADH4 P08319 1/20 0.44
S1PR2 O95136 5/20 0.41
S1PR4 O95977 5/20 0.41
S1PR1 P21453 5/20 0.41
S1PR3 Q99500 5/20 0.41
ZDHHC20 Q5W0Z9 1/20 0.41
ZDHHC2 Q9UIJ5 1/20 0.41
S1PR5 Q9H228 1/20 0.41
CYP1A2 P05177 1/20 0.40
CYP2C19 P33261 1/20 0.40
SIGMAR1 Q99720 1/20 0.39
KDM1A O60341 2/20 0.38

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
Hydrochloric Acid SCHEMBL22771600 0.98 TSHR (0.59) TSHRALDH1A1ADH1BADH1CADH1A
SCHEMBL21554946 0.98 TSHR (0.59) TSHRALDH1A1ADH1BADH1CADH1A
SCHEMBL616197 0.93
SCHEMBL10574954 0.91 TSHR (0.62) TSHRALDH1A1ADH1BADH1CADH1A
Hydrochloric Acid SCHEMBL22771565 0.91 TSHR (0.52) TSHRALDH1A1ADH1BADH1CADH1A
SCHEMBL8033193 0.91 TSHR (0.68) TSHRALDH1A1ADH1BADH1CADH1A
Hydrochloric Acid SCHEMBL23277190 0.88 TSHR (0.59) TSHRALDH1A1ADH1BADH1CADH1A
SCHEMBL22753257 0.88 TSHR (0.73) TSHRALDH1A1ADH1BADH1CADH1A
SCHEMBL22756213 0.88 TSHR (0.46) TSHRALDH1A1ADH1BADH1CADH1A
SCHEMBL9214189 0.88 TSHR (0.73) TSHRALDH1A1ADH1BADH1CADH1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190133622-A1 ANTI-JAMMING AND MACERATING THROMBECTOMY APPARATUSES AND METHODS STRYKER CORPORATION (US) 2019-05-09 US disclosed
US-8084596-B2 Regulated apoptosis THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2011-12-27 US disclosed
US-20110003385-A1 REGULATED TRANSCRIPTION OF TARGETED GENES AND OTHER BIOLOGICAL EVENTS PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2011-01-06 US disclosed
US-20100323420-A1 REGULATED APOPTOSIS PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2010-12-23 US disclosed
EP-0804561-B1 REGULATED TRANSCRIPTION OF TARGETED GENES AND OTHER BIOLOGICAL EVENTS UNIV LELAND STANFORD JUNIOR (US) 2009-12-30 EP disclosed
US-20090060888-A1 Regulated transcription of targeted genes and other biological events NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2009-03-05 US disclosed
EP-1978095-A1 Chimeric receptor proteins for controlling signal transduction and ligands binding thereto THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2008-10-08 EP disclosed
US-7084154-B2 2-(aminomethyl) arylamide analgesics PHARMACOPEIA DRUG DISCLOVERY, INC. (US) 2006-08-01 US disclosed
US-20060078969-A1 Regulated transcription of targeted genes and other biological events PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2006-04-13 US disclosed
US-20060035325-A1 Regulated apoptosis THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2006-02-16 US disclosed
US-5869337-A OLIGOMERIZES TWO OR MORE CHIMERIC PROTEIN MOLECULES TO FORM A LIGAND CROSS-LINKED PROTEIN COMPLEX PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 1999-02-09 US disclosed
US-5834266-A A GENETIC CONSTRUCT ENCODING A CHIMERIC PROTEIN HAVING AN ACTIVATABLE APOPTOSIS-DOMAIN TO COMPLEX WITH A NONPROTEIN, MEMBRANE-PERMEABLE LIGAND WHICH THEN BINDS TO ANOTHER PROTEIN THEREBY ACTIVATING THE APOPTOSIS-INDUCING DOMAIN PRESIDENT & FELLOWS OF HARVARD COLLEGE (US) 1998-11-10 US disclosed
US-5830462-A DIMERIZATION, OLIGOMERIZATION OF PROTEINS; ACTIVATION OF CELLMEMBRANE RECEPTORS PRESIDENT & FELLOWS OF HARVARD COLLEGE (US) 1998-11-03 US disclosed
EP-0776359-A4 REGULATED APOPTOSIS UNIV LELAND STANFORD JUNIOR (US) 1998-09-09 EP disclosed
EP-0804561-A1 REGULATED TRANSCRIPTION OF TARGETED GENES AND OTHER BIOLOGICAL EVENTS THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 1997-11-05 EP disclosed
EP-0776335-A1 REGULATABLE ELIMINATION OF GENE EXPRESSION, GENE PRODUCT FUNCTION AND ENGINEERED HOST CELLS ARIAD GENE THERAPEUTICS, INC. (US) 1997-06-04 EP disclosed
EP-0776359-A1 REGULATED APOPTOSIS THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 1997-06-04 EP disclosed
WO-1996006111-A1 REGULATABLE ELIMINATION OF GENE EXPRESSION, GENE PRODUCT FUNCTION AND ENGINEERED HOST CELLS ARIAD GENE THERAPEUTICS, INC. (US) 1996-02-29 WO disclosed
WO-1995002684-A1 REGULATED APOPTOSIS THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 1995-01-26 WO disclosed
WO-1994018317-A1 REGULATED TRANSCRIPTION OF TARGETED GENES AND OTHER BIOLOGICAL EVENTS THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 1994-08-18 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 (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-20090060888-A1 Regulated transcription of targeted genes and other biological events NFATC1, CD4, ACIN1 TSHR 329/4885ALDH1A1 4860/4885ADH1B 4401/4885
US-20060035325-A1 Regulated apoptosis BAX, CCAR2, DDIT3 TSHR 3564/4885ALDH1A1 4468/4885ADH1B 3546/4885
US-20060078969-A1 Regulated transcription of targeted genes and other biological events DGKZ, BID, TARBP1 TSHR 225/4885ALDH1A1 4862/4885ADH1B 4335/4885

“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.