SCHEMBL98000

SCHEMBL98000

Cc1ccc([C]=O)c(C)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.42
TP53 P04637 2/20 0.42
CYP1A2 P05177 2/20 0.38
CYP2A6 P11509 2/20 0.38
ALDH1A1 P00352 1/20 0.37
GAA P10253 2/20 0.36
CYP3A4 P08684 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
ADRA2A P08913 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
RAPGEF4 Q8WZA2 3/20 0.35
MAPT P10636 2/20 0.35
LMNA P02545 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
THRB P10828 1/20 0.33
ALOX15 P16050 1/20 0.33
ACHE P22303 1/20 0.33

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
SCHEMBL5962213 0.82 CYP2A6 (0.39) TDP1TP53CYP1A2CYP2A6ALDH1A1
SCHEMBL1314814 0.80 TDP1 (0.42) TDP1TP53CYP1A2CYP2A6ALDH1A1
SCHEMBL3686045 0.79 TDP1 (0.46) TDP1TP53CYP1A2CYP2A6ALDH1A1
SCHEMBL7786851 0.78 TRPA1 (0.32) CYP3A4
SCHEMBL5158400 0.76 SIGMAR1 (0.36) ALDH1A1CYP3A4MEN1KMT2ANPSR1
SCHEMBL5127052 0.76 FFAR1 (0.43) TP53CYP2A6ALDH1A1GAACYP3A4
SCHEMBL11110756 0.76 RAB9A (0.38) TDP1CYP1A2CYP2A6ALDH1A1GAA
SCHEMBL21201386 0.76 ACHE (0.35) TDP1CYP3A4MEN1KMT2AMAPT
SCHEMBL21201424 0.76 NFE2L2 (0.36) TDP1TP53CYP1A2CYP2A6ALDH1A1
SCHEMBL6364905 0.76 TRPA1 (0.52) TDP1TP53ALDH1A1GAAMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024127026-A1 MEMBRANE FILTRATION-ASSISTED SOLUTION PHASE OLIGONUCLEOTIDE SYNTHESIS Exactmer Limited (GB) 2024-06-20 WO claimed
CN-117510500-A Preparation method of asperazepanones alkaloid and application of asperazepanones alkaloid as anti-inflammatory drug 中国海洋大学 2024-02-06 CN claimed
US-20240033318-A1 PEPTIDYL INHIBITORS OF CALCINEURIN-NFAT INTERACTION OHIO STATE INNOVATION FOUNDATION 2024-02-01 US claimed
CN-117050043-A 3-phenyl dibenzofuran compound and preparation method and application thereof 中国海洋大学 2023-11-14 CN claimed
CN-116726010-A Application of macrolide derivative in preparation of medicines for inhibiting pro-inflammatory cytokine acting agents 中国海洋大学 2023-09-12 CN claimed
US-11596716-B2 Compounds and matrices for use in bone growth and repair HUMAN BIOMOLECULAR RESEARCH INSTITUTE (US) 2023-03-07 US claimed
US-11576946-B2 Peptidyl inhibitors of calcineurin-NFAT interaction OHIO STATE INNOVATION FOUNDATION (US) 2023-02-14 US claimed
US-11040028-B2 Penicinotam derivative, preparation method and use thereof OCEAN UNIVERSITY OF CHINA (CN) 2021-06-22 US claimed
US-20210169966-A1 PEPTIDYL INHIBITORS OF CALCINEURIN-NFAT INTERACTION OHIO STATE INNOVATION FOUNDATION 2021-06-10 US claimed
WO-2021104529-A1 MACROLIDE BREFELDIN A ESTER DERIVATIVE, AND USE 中国海洋大学 2021-06-03 WO claimed
US-5843946-A α-and β-amino acid hydroxyethylamino sulfonamides useful as retroviral protease inhibitors G.D. SEARLE & CO. (US) 1998-12-01 US claimed
WO-1998034111-A1 TRICYCLIC TETRAHYDROQUINOLINE DERIVATIVES AND TRICYCLIC TETRAHYDROQUINOLINE COMBINATORIAL LIBRARIES TREGA BIOSCIENCES, INC. (US) 1998-08-06 WO claimed
WO-1998034115-A1 4-SUBSTITUTED-QUINOLINE DERIVATIVES AND 4-SUBSTITUTE-QUINOLINE COMBINATORIAL LIBRARIES TREGA BIOSCIENCES, INC. (US) 1998-08-06 WO claimed
EP-0810209-A2 Alpha - and beta-amino acid hydroxyethylamino sulfonamides useful as retroviral protease inhibitors G.D. SEARLE & CO. (US) 1997-12-03 EP claimed
EP-0715618-A1 HYDROXYETHYLAMINO SULPHONAMIDES USEFUL AS RETROVIRAL PROTEASE INHIBITORS G.D. SEARLE & CO. (US) 1996-06-12 EP claimed
EP-0656887-A1 HYDROXYETHYLAMINO SULFONAMIDES USEFUL AS RETROVIRAL PROTEASE INHIBITORS G.D. SEARLE & CO. (US) 1995-06-14 EP claimed
WO-1995006030-A1 HYDROXYETHYLAMINO SULPHONAMIDES USEFUL AS RETROVIRAL PROTEASE INHIBITORS G.D. SEARLE & CO. (US) 1995-03-02 WO claimed
WO-1994004492-A1 HYDROXYETHYLAMINO SULFONAMIDES USEFUL AS RETROVIRAL PROTEASE INHIBITORS G.D. SEARLE & CO. (US) 1994-03-03 WO claimed
US-5049551-A Antitumor UBE INDUSTRIES, LTD. (JP) 1991-09-17 US claimed
EP-0400610-A1 5-Fluorouracil derivatives UBE INDUSTRIES, LTD. (JP) 1990-12-05 EP claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 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-11596716-B2 Compounds and matrices for use in bone growth and repair BMP2, BMP4, BMP6 TDP1 4775/4885TP53 3560/4885CYP1A2 4071/4885
US-20210169966-A1 PEPTIDYL INHIBITORS OF CALCINEURIN-NFAT INTERACTION CHP1, NFATC1, PPP3R1 TDP1 3097/4885TP53 1623/4885CYP1A2 4837/4885
US-11040028-B2 Penicinotam derivative, preparation method and use thereof TPMT, MAPT, TLR4 TDP1 1592/4885TP53 826/4885CYP1A2 271/4885
US-20240033318-A1 PEPTIDYL INHIBITORS OF CALCINEURIN-NFAT INTERACTION CHP1, NFATC1, PPP3R1 TDP1 3049/4885TP53 1632/4885CYP1A2 4838/4885
US-11576946-B2 Peptidyl inhibitors of calcineurin-NFAT interaction CHP1, NFATC1, PPP3R1 TDP1 3049/4885TP53 1632/4885CYP1A2 4838/4885

“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.