SCHEMBL215921

SCHEMBL215921

[NH]C(=O)C1CCCCCC1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.58
CES1 P23141 1/20 0.58
HDAC8 Q9BY41 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48
TSHR P16473 3/20 0.46
ALDH1A1 P00352 2/20 0.46
NOS2 P35228 1/20 0.41
HSD11B1 P28845 3/20 0.41
EPHX1 P07099 6/20 0.39
RECQL P46063 1/20 0.39
HSD11B2 P80365 1/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
MAPT P10636 1/20 0.38
KDM4E B2RXH2 1/20 0.38
CYP3A4 P08684 1/20 0.38
EPHX2 P34913 1/20 0.38
MGLL Q99685 1/20 0.38
MAPK1 P28482 1/20 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
SCHEMBL217427 1.00 CES2 (0.58) CES2CES1HDAC8HDAC6TSHR
SCHEMBL26180 1.00
SCHEMBL218386 1.00 CES2 (0.58) CES2CES1HDAC8HDAC6TSHR
SCHEMBL8517604 1.00 CES2 (0.58) CES2CES1HDAC8HDAC6TSHR
SCHEMBL216549 1.00 CES2 (0.58) CES2CES1HDAC8HDAC6TSHR
SCHEMBL217105 1.00 CES2 (0.58) CES2CES1HDAC8HDAC6TSHR
SCHEMBL217137 0.97
Sulfur Dioxide SCHEMBL461977 0.92 CES2 (0.50) CES2CES1HDAC8HDAC6TSHR
SCHEMBL216556 0.90
SCHEMBL5660 0.83

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7838529-B2 Xanthine derivates, their preparation and their use in pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-11-23 US claimed
US-20090131432-A1 XANTHINE DERIVATES, THEIR PREPARATION AND THEIR USE IN PHARMACEUTICAL COMPOSITIONS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2009-05-21 US claimed
EP-1554278-B1 XANTHINE DERIVATIVES, PRODUCTION THEREOF AND USE THEREOF AS MEDICINES BOEHRINGER INGELHEIM PHARMA (DE) 2006-04-12 EP claimed
US-20040166125-A1 Xanthine derivatives, their preparation and their use in pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-08-26 US claimed
EP-1100773-A1 SATURATED AND UNSATURATED ABIETANE DERIVATIVES, DERIVED CONJUGATES AND USES IN A DIAGNOSTIC COMPOSITION, A REAGENT AND A DEVICE BIOMERIEUX (FR) 2001-05-23 EP claimed
WO-2000007982-A1 SATURATED AND UNSATURATED ABIETANE DERIVATIVES, DERIVED CONJUGATES AND USES IN A DIAGNOSTIC COMPOSITION, A REAGENT AND A DEVICE BIO MERIEUX (FR) 2000-02-17 WO claimed
EP-3395583-B1 HEAT-SENSITIVE RECORDING MATERIAL NIPPON KAYAKU KK (JP) 2024-03-27 EP disclosed
WO-2024043261-A1 AZO COMPOUND OR SALT THEREOF, AND POLARIZING FILM, POLARIZING PLATE AND LIQUID CRYSTAL DISPLAY DEVICE COMPRISING SAME 日本化薬株式会社 2024-02-29 WO disclosed
CN-114026199-B Polarized light emitting film, polarized light emitting panel and display device containing water-soluble coumarin compound or salt thereof 日本化药株式会社 2023-12-26 CN disclosed
US-11802208-B2 Stilbene-based compound or salt thereof, and polarizing film, polarizing plate, and display device NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2023-10-31 US disclosed
US-11766669-B2 Hexahydrocyclopenta[e]-as-indacen-1-yl and octahydrobenzo[e]-as-indacen-1-yl based catalyst complexes and process for use thereof EXXONMOBIL CHEMICAL PATENTS INC. (US) 2023-09-26 US disclosed
WO-2023113038-A1 OLIGONUCLEOTIDE PRODUCTION METHOD リードファーマ株式会社 2023-06-22 WO disclosed
CN-116034036-A Thermosensitive recording material 日本化药株式会社 2023-04-28 CN disclosed
EP-0470543-A1 Heterocyclic imidazoles, remedies containing them and processes for their preparation Dr. Karl Thomae GmbH (DE) 1992-02-12 EP disclosed
EP-0441282-A1 Bichromophore methine and azamethine dyestuffs and a process for their transfer BASF Aktiengesellschaft (DE) 1991-08-14 EP disclosed
EP-0417751-A2 New thiazole derivatives, processes for the preparation thereof and pharmaceutical compositon comprising the same FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1991-03-20 EP disclosed
US-4914206-A ANTIBIOTICS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1990-04-03 US disclosed
EP-0226896-A2 Lankacidin derivatives and production thereof Takeda Chemical Industries, Ltd. (JP) 1987-07-01 EP disclosed
EP-0072014-B1 COMBINATION OF 2-SUBSTITUTED PENEMS WITH DIPEPTIDASE INHIBITORS MERCK & CO. INC. (US) 1986-12-30 EP disclosed
EP-0007614-B1 AN ANTIBACTERIAL COMPOSITION OF THIENAMYCIN-TYPE COMPOUND AND A DIPEPTIDASE INHIBITOR MERCK & CO. INC. (US) 1983-01-26 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-20040166125-A1 Xanthine derivatives, their preparation and their use in pharmaceutical compositions XDH, CALCRL, CALCA CES2 547/4885CES1 75/4885HDAC8 4709/4885
US-11766669-B2 Hexahydrocyclopenta[e]-as-indacen-1-yl and octahydrobenzo[e]-as-indacen-1-yl based catalyst complexes and process for use thereof MLX, ZYX, TXN CES2 4035/4885CES1 3464/4885HDAC8 4217/4885
US-20090131432-A1 XANTHINE DERIVATES, THEIR PREPARATION AND THEIR USE IN PHARMACEUTICAL COMPOSITIONS XDH, CALCRL, GPR119 CES2 347/4885CES1 97/4885HDAC8 4542/4885

“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.