SCHEMBL6897104

SCHEMBL6897104

CCCOCCCCCCCCCCOCCC

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.55
THRB P10828 2/20 0.55
MEN1 O00255 1/20 0.55
KMT2A Q03164 1/20 0.55
MAPT P10636 1/20 0.55
TSHR P16473 3/20 0.48
USP2 O75604 1/20 0.46
CES2 O00748 2/20 0.44
SPHK2 Q9NRA0 1/20 0.41
ALDH1A1 P00352 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
CYP3A4 P08684 1/20 0.40
CES1 P23141 1/20 0.39
HSD17B10 Q99714 1/20 0.39
LPAR5 Q9H1C0 1/20 0.38
EPHX2 P34913 2/20 0.37

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
SCHEMBL6900939 1.00 HTT (0.55) HTTTHRBMEN1KMT2AMAPT
SCHEMBL2512982 1.00 HTT (0.55) HTTTHRBMEN1KMT2AMAPT
SCHEMBL9011593 1.00 HTT (0.55) HTTTHRBMEN1KMT2AMAPT
SCHEMBL6902801 1.00 HTT (0.55) HTTTHRBMEN1KMT2AMAPT
SCHEMBL6901331 1.00 HTT (0.55) HTTTHRBMEN1KMT2AMAPT
SCHEMBL2511487 1.00 HTT (0.55) HTTTHRBMEN1KMT2AMAPT
SCHEMBL2551087 0.96 TSHR (0.50) HTTTHRBMEN1KMT2AMAPT
SCHEMBL2323645 0.96 TSHR (0.50) HTTTHRBMEN1KMT2AMAPT
SCHEMBL87529 0.94 HTT (0.64) HTTTHRBMEN1KMT2AMAPT
SCHEMBL1931398 0.94 HTT (0.64) HTTTHRBMEN1KMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113574041-A Method for producing bisphenol and method for producing polycarbonate resin 三菱化学株式会社 2021-10-29 CN disclosed
WO-2020189201-A1 METHOD FOR PRODUCING BISPHENOL AND METHOD FOR PRODUCING POLYCARBONATE RESIN 三菱ケミカル株式会社 2020-09-24 WO disclosed
US-9439984-B2 Macrocycles THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2016-09-13 US disclosed
US-20160221971-A1 DI-MACROCYCLES LUMIPHORE, INC. (US) 2016-08-04 US disclosed
US-20150157746-A1 MACROCYCLES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2015-06-11 US disclosed
US-20110189088-A1 RADIOPHARMACEUTICAL COMPLEXES LUMIPHORE, INC. (US) 2011-08-04 US disclosed
EP-1284979-B1 PREPOLYMERIC (METH)ACRYLATES WITH POLYCYCLIC OR AROMATIC SEGMENTS 3M ESPE AG (DE) 2004-12-29 EP disclosed
EP-1139973-B1 POLYMERISABLE MATERIALS WHICH ARE BASED ON HARDENABLE SILOXANE COMPOUNDS 3M ESPE AG (DE) 2003-04-23 EP 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-20110189088-A1 RADIOPHARMACEUTICAL COMPLEXES SLC39A3, SLC30A5, SLC40A1 HTT 889/4885THRB 3075/4885MEN1 26/4885
US-20160221971-A1 DI-MACROCYCLES DLD, NDC1, MCL1 HTT 312/4885THRB 3422/4885MEN1 220/4885
US-20150157746-A1 MACROCYCLES SLC39A14, SLC39A3, SLC40A1 HTT 390/4885THRB 4341/4885MEN1 31/4885

“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.