SCHEMBL681444

SCHEMBL681444

CCOC(=O)CCCNC

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.57
GAA P10253 2/20 0.52
MGAM O43451 1/20 0.52
SI P14410 1/20 0.52
MGAM2 Q2M2H8 1/20 0.52
NR1I2 O75469 1/20 0.46
PGR P06401 1/20 0.46
ADORA3 P0DMS8 1/20 0.46
PTGS2 P35354 1/20 0.46
PDE4D Q08499 1/20 0.46
TOP2A P11388 1/20 0.45
LTA4H P09960 1/20 0.44
CYP3A4 P08684 3/20 0.44
CYP2C19 P33261 2/20 0.44
ALDH1A1 P00352 4/20 0.44
POLB P06746 1/20 0.43
KMT2A Q03164 1/20 0.43
ALOX15 P16050 1/20 0.43
TSHR P16473 1/20 0.43
HSD17B10 Q99714 1/20 0.43

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 SCHEMBL4169102 0.98 CYP1A2 (0.55) CYP1A2GAAMGAMSIMGAM2
SCHEMBL250851 0.94 CYP1A2 (0.55) CYP1A2GAAMGAMSIMGAM2
SCHEMBL380535 0.92 CYP1A2 (0.53) CYP1A2GAAMGAMSIMGAM2
SCHEMBL11841035 0.92 CYP1A2 (0.53) CYP1A2GAAMGAMSIMGAM2
SCHEMBL11849466 0.92 CYP1A2 (0.53) CYP1A2GAAMGAMSIMGAM2
SCHEMBL381525 0.92 CYP1A2 (0.53) CYP1A2GAAMGAMSIMGAM2
Hydrochloric Acid SCHEMBL5654547 0.90 CYP1A2 (0.52) CYP1A2GAAMGAMSIMGAM2
SCHEMBL498980 0.86
SCHEMBL8636181 0.84 CYP1A2 (0.59) CYP1A2GAAMGAMSIMGAM2
Hydrochloric Acid SCHEMBL3295030 0.84 GAA (0.54) CYP1A2GAAMGAMSIMGAM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023098831-A1 TARGETED PROTEASE DEGRADATION (TED) PLATFORM 嘉兴优博生物技术有限公司 2023-06-08 WO disclosed
US-20220178921-A1 4,4-DISUBSTITUTED CYCLOHEXYL BRIDGED HEPTAMETHINE CYANINE DYES AND USES THEREOF VISEN MEDICAL, INC. 2022-06-09 US disclosed
US-11193932-B2 4,4-disubstituted cyclohexyl bridged heptamethine cyanine dyes and uses thereof VISEN MEDICAL, INC. (US) 2021-12-07 US disclosed
EP-2953976-B1 SPECIFIC SITES FOR MODIFYING ANTIBODIES TO MAKE IMMUNOCONJUGATES NOVARTIS AG (CH) 2021-03-24 EP disclosed
US-20200049709-A1 4,4-DISUBSTITUTED CYCLOHEXYL BRIDGED HEPTAMETHINE CYANINE DYES AND USES THEREOF VISEN MEDICAL, INC. 2020-02-13 US disclosed
US-10473658-B2 4,4-disubstituted cyclohexyl bridged heptamethine cyanine dyes and uses thereof VISEN MEDICAL, INC. (US) 2019-11-12 US disclosed
US-10442930-B2 Biocompatible N, N-disubstituted sulfonamide-containing fluorescent dye labels VISEN MEDICAL, INC. (US) 2019-10-15 US disclosed
EP-3489309-A1 4,4-DISUBSTITUTED CYCLOHEXYL BRIDGED HEPTAMETHINE CYANINE DYES AND USES THEREOF Visen Medical, Inc. (US) 2019-05-29 EP disclosed
US-20180164312-A1 4,4-DISUBSTITUTED CYCLOHEXYL BRIDGED HEPTAMETHINE CYANINE DYES AND USES THEREOF VISEN MEDICAL INC. 2018-06-14 US disclosed
US-9897604-B2 4,4-disubstituted cyclohexyl bridged heptamethine cyanine dyes and uses thereof VISEN MEDICAL, INC. (US) 2018-02-20 US disclosed
WO-2007146786-A1 PHARMACEUTICAL COMPOSITIONS AND METHODS FOR RESTORING B-CELL MASS AND FUNCTION DIAKINE THERAPEUTICS, INC. (US) 2007-12-21 WO disclosed
WO-2007113254-A1 HIV INHIBITING 5-AMIDO SUBSTITUTED PYRIMIDINES TIBOTEC PHARMACEUTICALS LTD. (IE) 2007-10-11 WO disclosed
US-20070082896-A1 Tetrahydroquinoline derivatives and a process for preparing the same TANABE SEIYAKU CO., LTD. 2007-04-12 US disclosed
US-20070082896-A1 Tetrahydroquinoline derivatives and a process for preparing the same TANABE SEIYAKU CO., LTD. 2007-04-12 US disclosed
WO-2007028037-A1 BIOCOMPATIBLE N, N-DISUBSTITUTED SULFONAMIDE-CONTAINING FLUORESCENT DYE LABELS VISEN MEDICAL, INC. (US) 2007-03-08 WO disclosed
CN-1922173-A Indanol Derivatives SANKYO CO (JP) 2007-02-28 CN disclosed
WO-2006074051-A2 PHARMACEUTICAL COMPOSITIONS AND METHODS FOR RESTORING β-CELL MASS AND FUNCTION DIAKINE THERAPEUTICS, INC. (US) 2006-07-13 WO disclosed
CN-1053472-C Oligonucleotides derived from the SOD family HOFFMANN LA ROCHE (CH) 2000-06-14 CN disclosed
US-5618814-A Trisubstituted pyrimido [5,4-d] pyrimidines for modulating multi-drug resistance and pharmaceutical compositions containing these compounds DR. KARL THOMAE GMBH (DE) 1997-04-08 US disclosed
CN-1106405-A Trisubstituted pyrimido [5,4-d] pyrimidines for modulating THOMAE GMBH DR K (DE) 1995-08-09 CN 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 (7 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-20180164312-A1 4,4-DISUBSTITUTED CYCLOHEXYL BRIDGED HEPTAMETHINE CYANINE DYES AND USES THEREOF CPNE4, LIG4, S100A4 CYP1A2 2660/4885GAA 4553/4885MGAM 920/4885
US-20070082896-A1 Tetrahydroquinoline derivatives and a process for preparing the same CETP, MTTP, NPC1L1 CYP1A2 1044/4885GAA 3436/4885MGAM 4335/4885
US-20200049709-A1 4,4-DISUBSTITUTED CYCLOHEXYL BRIDGED HEPTAMETHINE CYANINE DYES AND USES THEREOF CPNE4, LIG4, S100A4 CYP1A2 2660/4885GAA 4553/4885MGAM 920/4885
US-20220178921-A1 4,4-DISUBSTITUTED CYCLOHEXYL BRIDGED HEPTAMETHINE CYANINE DYES AND USES THEREOF CPNE4, LIG4, S100A4 CYP1A2 2660/4885GAA 4553/4885MGAM 920/4885
US-10473658-B2 4,4-disubstituted cyclohexyl bridged heptamethine cyanine dyes and uses thereof CPNE4, LIG4, S100A4 CYP1A2 2660/4885GAA 4553/4885MGAM 920/4885
US-11193932-B2 4,4-disubstituted cyclohexyl bridged heptamethine cyanine dyes and uses thereof CPNE4, LIG4, S100A4 CYP1A2 2660/4885GAA 4553/4885MGAM 920/4885
US-10442930-B2 Biocompatible N, N-disubstituted sulfonamide-containing fluorescent dye labels DNPEP, FUT5, NES CYP1A2 4526/4885GAA 1364/4885MGAM 204/4885

“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.