SCHEMBL3666632

SCHEMBL3666632

CCCCCC1C(=O)CC(C)(C)CC1=O

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.57
CYP1A2 P05177 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
KMT2A Q03164 3/20 0.50
MEN1 O00255 2/20 0.50
HTT P42858 2/20 0.50
HLCS P50747 2/20 0.44
ALDH1A1 P00352 8/20 0.43
KDM4E B2RXH2 3/20 0.43
POLB P06746 1/20 0.43
TSHR P16473 1/20 0.43
HPGD P15428 2/20 0.41
GAA P10253 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
PKM P14618 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL5883179 0.98 MAPT (0.55) MAPTCYP1A2CYP2C9CYP2C19KMT2A
SCHEMBL10794719 0.94 MAPT (0.59) MAPTCYP1A2CYP2C9CYP2C19KMT2A
SCHEMBL1036088 0.79 CYP1A2 (0.46) MAPTCYP1A2KMT2AMEN1HTT
SCHEMBL10704088 0.77 CYP1A2 (0.48) MAPTCYP1A2KMT2AMEN1HLCS
SCHEMBL11861937 0.77 CYP1A2 (0.48) MAPTCYP1A2KMT2AMEN1HLCS
SCHEMBL5612700 0.76 MAPT (0.70) MAPTCYP1A2CYP2C9CYP2C19KMT2A
SCHEMBL8076491 0.75 TP53 (0.47) MAPTCYP1A2KMT2AMEN1HLCS
SCHEMBL9799080 0.73 CYP1A2 (0.50) MAPTCYP1A2KMT2AMEN1HTT
SCHEMBL6742596 0.73 TP53 (0.46) MAPTCYP1A2KMT2AMEN1HLCS
SCHEMBL8154627 0.73 MAPT (1.00) MAPTCYP1A2CYP2C9CYP2C19KMT2A

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
WO-2024020168-A2 BIO-RENEWABLE POLYMERS AND USES THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2024-01-25 WO disclosed
EP-2146967-A2 TETRAHYDROINDOLE AND TETRAHYDROINDAZOLE DERIVATIVES Serenex, Inc. (US) 2010-01-27 EP disclosed
WO-2008130879-A2 TETRAHYDROINDOLE AND TETRAHYDROINDAZOLE DERIVATIVES SERENEX, INC. (US) 2008-10-30 WO disclosed
US-20080269193-A1 Tetrahydroindole and Tetrahydroindazole Derivatives SERENEX, INC. 2008-10-30 US disclosed
US-6765089-B1 FOR USE IN THE SYNTHESIS OF PEPTIDES, OLIGOSACCHARIDES, GLYCOPEPTIDES AND GLYCOLIPIDS ALCHEMIA PTY LTD (AU) 2004-07-20 US disclosed
EP-1017683-A4 PROTECTING AND LINKING GROUPS FOR ORGANIC SYNTHESIS ALCHEMIA PTY LTD (AU) 2002-03-06 EP disclosed
EP-1017683-A1 PROTECTING AND LINKING GROUPS FOR ORGANIC SYNTHESIS Alchemia Pty. Ltd. (AU) 2000-07-12 EP disclosed
WO-1999015510-A1 PROTECTING AND LINKING GROUPS FOR ORGANIC SYNTHESIS ALCHEMIA PTY. LTD. (AU) 1999-04-01 WO 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 (1 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-20080269193-A1 Tetrahydroindole and Tetrahydroindazole Derivatives HSF1, HSP90AB1, TPH1 MAPT 356/4885CYP1A2 102/4885CYP2C9 287/4885

“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.