SCHEMBL6418608

SCHEMBL6418608

C=CCOC(=O)C(=O)CC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.46
CYP3A4 P08684 1/20 0.39
TDP1 Q9NUW8 1/20 0.38
MAPT P10636 3/20 0.37
CACNA1B Q00975 1/20 0.37
APBA1 Q02410 1/20 0.37
ALDH1A1 P00352 4/20 0.37
HSD17B10 Q99714 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
PKM P14618 1/20 0.34
HPGD P15428 2/20 0.33
KDM4E B2RXH2 2/20 0.33
SOAT1 P35610 1/20 0.32
MEN1 O00255 1/20 0.32
MAPK1 P28482 1/20 0.32
KMT2A Q03164 1/20 0.32
NPC1 O15118 1/20 0.32
POLB P06746 1/20 0.32
RAB9A P51151 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32

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
SCHEMBL27898356 0.87 TSHR (0.43) TSHRCYP3A4TDP1MAPTCACNA1B
SCHEMBL28064773 0.82 TSHR (0.46) TSHRCYP3A4TDP1MAPTCACNA1B
SCHEMBL11667699 0.81 TSHR (0.39) TSHRCYP3A4TDP1MAPTCACNA1B
SCHEMBL468460 0.80 TSHR (0.44) TSHRCYP3A4TDP1MAPTCACNA1B
SCHEMBL177943 0.80 CYP3A4 (0.48) TSHRCYP3A4TDP1MAPTCACNA1B
SCHEMBL10548645 0.79 TSHR (0.38) TSHRCYP3A4TDP1MAPTCACNA1B
SCHEMBL1651451 0.79 CYP3A4 (0.41) TSHRCYP3A4TDP1MAPTCACNA1B
SCHEMBL11123251 0.78 TSHR (0.66) TSHRHPGD
SCHEMBL7512684 0.78 CYP3A4 (0.46) TSHRCYP3A4TDP1MAPTCACNA1B
SCHEMBL17809616 0.77 MAPT (0.41) TSHRCYP3A4TDP1MAPTCACNA1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5428166-A Method of making asymmetric de ring intermediates for the synthesis of camptothecin and camptothecin analogs NORTH CAROLINA STATE UNIVERSITY (US) 1995-06-27 US claimed
WO-2022138891-A1 METHOD FOR PRODUCING PEPTIDE COMPOUND CONTAINING N-SUBSTITUTED-AMINO ACID RESIDUE 中外製薬株式会社 2022-06-30 WO disclosed
EP-0963988-B1 Intermediates for making camptothecin and camptothecin analogs UNIV NORTH CAROLINA STATE (US) 2005-04-27 EP disclosed
EP-1142894-B1 Volatile precursors for deposition of metals and metal-containing films AIR PROD & CHEM (US) 2005-01-12 EP disclosed
US-6818783-B2 HOMOLOGOUS EIGHT MEMBERED RING COMPOUNDS HAVING A METAL, SUCH AS COPPER, REVERSIBLY BOUND IN THE RING AND CONTAINING CARBON, NITROGEN, SILICON AND/OR OTHER METALS. AIR PRODUCTS AND CHEMICALS, INC. 2004-11-16 US disclosed
US-20040215030-A1 Precursors for metal containing films VERSUM MATERIALS US, LLC 2004-10-28 US disclosed
EP-1471568-A1 Precursors for metal containing films AIR PRODUCTS AND CHEMICALS, INC. (US) 2004-10-27 EP disclosed
US-20030135061-A1 Volatile precursors for deposition of metals and metal-containing films VERSUM MATERIALS US, LLC 2003-07-17 US disclosed
US-20020013487-A1 Volatile precursors for deposition of metals and metal-containing films VERSUM MATERIALS US, LLC 2002-01-31 US disclosed
EP-1142894-A2 Volatile precursors for deposition of metals and metal-containing films AIR PRODUCTS AND CHEMICALS, INC. (US) 2001-10-10 EP disclosed
US-5212317-A Methods and intermediates for the assymmetric synthesis of camptothecin and camptothecin analogs NORTH CAROLINA STATE UNIVERSITY (US) 1993-05-18 US disclosed
US-5200524-A Camptothecin intermediates and method of making same NORTH CAROLINA STATE UNIVERSITY (US) 1993-04-06 US disclosed
US-5191082-A Camptothecin intermediate and method of making camptothecin intermediates NORTH CAROLINA STATE UNIVERSITY (US) 1993-03-02 US disclosed
US-5162532-A INTERMEDIATES AND METHOD OF MAKING CAMPTOTHECIN AND CAMPTOTHECIN ANALOGS NORTH CAROLINA STATE UNIVERSITY (US) 1992-11-10 US disclosed
WO-1992011263-A1 METHOD OF MAKING CAMPTOTHECIN AND CAMPTOTHECIN ANALOGS NORTH CAROLINA STATE UNIVERSITY (US) 1992-07-09 WO disclosed
EP-0299727-B1 THERAPEUTIC AGENTS Pfizer Limited (GB) 1991-11-13 EP disclosed
US-4992447-A Asthma PFIZER INC. (US) 1991-02-12 US disclosed
US-4853392-A Fused 1,4-dihydropyridines as antiallergy and antiinflammatory agents PFIZER INC. (US) 1989-08-01 US disclosed
EP-0299727-A1 Therapeutic agents Pfizer Limited (GB) 1989-01-18 EP disclosed
US-4480120-A Process for the preparation of alkyl-2-alkoxyimino-3-oxo-4-chlorobutyrates EASTMAN KODAK COMPANY (US) 1984-10-30 US 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-20020013487-A1 Volatile precursors for deposition of metals and metal-containing films SOD1, C1R, C5 TSHR 3274/4885CYP3A4 1078/4885TDP1 4468/4885
US-20030135061-A1 Volatile precursors for deposition of metals and metal-containing films SOD1, C1R, C5 TSHR 3302/4885CYP3A4 1185/4885TDP1 4378/4885
US-20040215030-A1 Precursors for metal containing films TBL3, TBL2, TNNI3 TSHR 2197/4885CYP3A4 1453/4885TDP1 3119/4885

“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.