SCHEMBL94205

SCHEMBL94205

CCCCCC=CCC=CCC=CCC=CCCCCNCCc1ccc(O)c(O)c1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.69
ALOX12 P18054 3/20 0.69
HPGD P15428 2/20 0.69
MEN1 O00255 2/20 0.69
KMT2A Q03164 2/20 0.69
TRPV1 Q8NER1 2/20 0.69
ALDH1A1 P00352 1/20 0.69
TRPM8 Q7Z2W7 1/20 0.69
FAAH O00519 1/20 0.67
HSD17B10 Q99714 2/20 0.63
KDM4E B2RXH2 1/20 0.63
NPC1 O15118 1/20 0.63
GMNN O75496 1/20 0.63
USP2 O75604 1/20 0.63
LMNA P02545 1/20 0.63
TP53 P04637 1/20 0.63
CYP1A2 P05177 1/20 0.63
POLB P06746 1/20 0.63
CYP3A4 P08684 1/20 0.63
CYP2C9 P11712 1/20 0.63

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
SCHEMBL29517055 1.00 MAPT (0.69) MAPTALOX12HPGDMEN1KMT2A
SCHEMBL94204 1.00 MAPT (0.69) MAPTALOX12HPGDMEN1KMT2A
SCHEMBL29936449 0.96 MAPT (0.68) MAPTALOX12HPGDMEN1KMT2A
SCHEMBL19358636 0.96 MAPT (0.68) MAPTALOX12HPGDMEN1KMT2A
SCHEMBL3420775 0.89 ADRB2 (0.69) MAPTALOX12HPGDMEN1KMT2A
SCHEMBL29245172 0.87 ADRB2 (0.72) MAPTALOX12HPGDMEN1KMT2A
SCHEMBL18546398 0.87 ADRB2 (0.72) MAPTALOX12HPGDMEN1KMT2A
SCHEMBL6707005 0.87 TRPV1 (0.62) MAPTALOX12HPGDMEN1KMT2A
SCHEMBL6707007 0.87 TRPV1 (0.62) MAPTALOX12HPGDMEN1KMT2A
SCHEMBL6706990 0.85 CNR1 (0.55) MAPTALOX12HPGDMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113189214-B Large yellow croaker proliferation and releasing molecular marker and screening method thereof 宁波大学 2022-06-21 CN claimed
EP-3970723-A1 AMINOINDANE COMPOUNDS FOR USE IN TREATING UROLOGICAL PAIN Asana BioSciences, LLC (US) 2022-03-23 EP claimed
CN-114025749-A Cancer therapeutic agent comprising naltrexone and cannabinoid LDN制药有限公司 2022-02-08 CN claimed
US-20220016046-A1 PERMANENTLY CHARGED SODIUM AND CALCIUM CHANNEL BLOCKERS AS ANTI-INFLAMMATORY AGENTS CHILDREN'S MEDICAL CENTER CORPORATION (US) 2022-01-20 US claimed
US-20210290561-A1 PERMANENTLY CHARGED SODIUM AND CALCIUM CHANNEL BLOCKERS AS ANTI-INFLAMMATORY AGENTS CHILDREN'S MEDICAL CENTER CORPORATION (US) 2021-09-23 US claimed
CN-113189214-A Large yellow croaker proliferation and releasing molecular marker and screening method thereof based on liquid phase-tandem mass spectrometry technology 宁波大学 2021-07-30 CN claimed
EP-3363437-B1 AMINOINDANE COMPOUNDS AND USE THEREOF IN TREATING PAIN ENDO PHARMACEUTICALS SOLUTIONS (US) 2021-07-28 EP claimed
US-20210186906-A1 METHODS, COMPOSITIONS, AND KITS FOR TREATING PAIN AND PRURITIS PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2021-06-24 US claimed
WO-2021035037-A1 METHOD TO INCREASE SYSTEMIC BLOOD PRESSURE IN SHOCK GEORGETOWN UNIVERSITY (US) 2021-02-25 WO claimed
EP-3363437-A1 AMINOINDANE COMPOUNDS AND USE THEREOF IN TREATING PAIN Endo Pharmaceuticals Solutions Inc. (US) 2018-08-22 EP claimed
JP-2011513484-A 2011-04-28 JP claimed
US-20110086818-A1 METHODS, COMPOSITIONS, AND KITS FOR TREATING PAIN AND PRURITUS PRESIDENTS AND FELLOWS OF HARVARD COLLEGE (US) 2011-04-14 US claimed
WO-2011006073-A1 PERMANENTLY CHARGED SODIUM AND CALCIUM CHANNEL BLOCKERS AS ANTI-INFLAMMATORY AGENTS PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2011-01-13 WO claimed
EP-2271329-A2 METHODS, COMPOSITIONS, AND KITS FOR TREATING PAIN AND PRURITIS President and Fellows of Harvard College (US) 2011-01-12 EP claimed
US-20100311678-A1 METHODS AND COMPOSITIONS FOR TREATING CANCER AND MODULATING SIGNAL TRANSDUCTION AND METABOLISM PATHWAYS PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2010-12-09 US claimed
US-20100099772-A1 METHODS, COMPOSITIONS, AND KITS FOR TREATING PAIN AND PRURITIS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2010-04-22 US claimed
EP-2101819-A2 METHODS, COMPOSITIONS, AND KITS FOR TREATING PAIN AND PRURITIS PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2009-09-23 EP claimed
WO-2009114139-A2 METHODS, COMPOSITIONS, AND KITS FOR TREATING PAIN AND PRURITIS PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2009-09-17 WO claimed
WO-2009045504-A1 METHODS AND COMPOSITIONS FOR TREATING CANCER AND MODULATING SIGNAL TRANSDUCTION AND METABOLISM PATHWAYS PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2009-04-09 WO claimed
WO-2008063603-A2 METHODS, COMPOSITIONS, AND KITS FOR TREATING PAIN AND PRURITIS PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2008-05-29 WO claimed

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-20100311678-A1 METHODS AND COMPOSITIONS FOR TREATING CANCER AND MODULATING SIGNAL TRANSDUCTION AND METABOLISM PATHWAYS PC, PCK2, PDK1 MAPT 4150/4885ALOX12 1246/4885HPGD 351/4885
US-20110086818-A1 METHODS, COMPOSITIONS, AND KITS FOR TREATING PAIN AND PRURITUS TRPV1, OPRL1, ITCH MAPT 672/4885ALOX12 1311/4885HPGD 2720/4885
US-20100099772-A1 METHODS, COMPOSITIONS, AND KITS FOR TREATING PAIN AND PRURITIS TRPV1, TRPV2, TRPV3 MAPT 2057/4885ALOX12 1400/4885HPGD 2047/4885
US-20210290561-A1 PERMANENTLY CHARGED SODIUM AND CALCIUM CHANNEL BLOCKERS AS ANTI-INFLAMMATORY AGENTS TRPV1, CACNA1B, ORAI1 MAPT 725/4885ALOX12 1431/4885HPGD 1369/4885
US-20220016046-A1 PERMANENTLY CHARGED SODIUM AND CALCIUM CHANNEL BLOCKERS AS ANTI-INFLAMMATORY AGENTS CACNA1B, TRPV1, ORAI1 MAPT 716/4885ALOX12 1395/4885HPGD 1461/4885
US-20210186906-A1 METHODS, COMPOSITIONS, AND KITS FOR TREATING PAIN AND PRURITIS TRPV1, TRPV2, TRPV3 MAPT 2057/4885ALOX12 1400/4885HPGD 2047/4885

“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.