SCHEMBL105277

SCHEMBL105277

CC(C)(C)c1ccc(C(=O)O)c(N)c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.68
KDM4E B2RXH2 2/20 0.68
HPGD P15428 1/20 0.68
HSD17B10 Q99714 1/20 0.68
TDP1 Q9NUW8 3/20 0.56
KMT2A Q03164 3/20 0.55
MEN1 O00255 2/20 0.55
MAPT P10636 2/20 0.55
PKM P14618 2/20 0.55
RECQL P46063 2/20 0.55
GAA P10253 1/20 0.55
CFTR P13569 1/20 0.47
RXRB P28702 1/20 0.47
CYP3A4 P08684 1/20 0.47
ALOX15 P16050 1/20 0.47
PPM1B O75688 1/20 0.46
NR1H4 Q96RI1 4/20 0.45
SRD5A2 P31213 1/20 0.44
IDO1 P14902 1/20 0.44
AKR1C2 P52895 2/20 0.44

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
SCHEMBL31273443 1.00 ALDH1A1 (0.68) ALDH1A1KDM4EHPGDHSD17B10TDP1
SCHEMBL711243 0.89 ALDH1A1 (0.68) ALDH1A1KDM4EHPGDHSD17B10TDP1
SCHEMBL29671061 0.89 ALDH1A1 (0.68) ALDH1A1KDM4EHPGDHSD17B10TDP1
SCHEMBL1827375 0.85 KMT2A (0.57) ALDH1A1KDM4EHPGDHSD17B10TDP1
SCHEMBL2054636 0.85 ALDH1A1 (0.55) ALDH1A1KDM4EHPGDHSD17B10TDP1
SCHEMBL1722083 0.85 ALDH1A1 (0.55) ALDH1A1KDM4EHPGDHSD17B10TDP1
SCHEMBL215701 0.82 ALDH1A1 (0.60) ALDH1A1KDM4EHPGDHSD17B10TDP1
SCHEMBL20552355 0.82 ALDH1A1 (0.60) ALDH1A1KDM4EHPGDHSD17B10TDP1
SCHEMBL28006029 0.82 ALDH1A1 (0.60) ALDH1A1KDM4EHPGDHSD17B10TDP1
SCHEMBL1356449 0.82 TDP1 (0.71) ALDH1A1KDM4EHPGDHSD17B10TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112300098-B Photopolymer composition, episulfide/epoxy writing monomer and grating 杭州光粒科技有限公司 2023-01-31 CN claimed
CN-112300098-A Photopolymer composition, episulfide/epoxy writing monomer and grating 杭州光粒科技有限公司 2021-02-02 CN claimed
US-4996339-A Colorless ORIENT CHEMICAL INDUSTRIES, LTD. (JP) 1991-02-26 US claimed
US-4855208-A Toner for developing electrostatic latent images ORIENT CHEMICAL INDUSTRIES LTD. (JP) 1989-08-08 US claimed
US-20240374598-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION VIIV Healthcare UK (No.5) Limited (GB) 2024-11-14 US disclosed
CN-112204008-B Sulfonylaminobenzamides and sulfonylaminobenzamide derivatives 奥索生物公司 2024-07-05 CN disclosed
CN-117631447-A Photopolymer with strong adhesive force and grating 奥提赞光晶(上海)显示技术有限公司 2024-03-01 CN disclosed
CN-115838543-A Photopolymer composition containing organic silicon film forming agent and grating 杭州光粒科技有限公司 2023-03-24 CN disclosed
CN-112300098-B Photopolymer composition, episulfide/epoxy writing monomer and grating 杭州光粒科技有限公司 2023-01-31 CN disclosed
EP-3619205-B1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION VIIV HEALTHCARE UK NO 5 LTD (GB) 2022-04-06 EP disclosed
US-20210379071-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION VIIV Healthcare UK (No.5) Limited (GB) 2021-12-09 US disclosed
EP-3876942-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION VIIV Healthcare UK (No.5) Limited (GB) 2021-09-15 EP disclosed
WO-2008157500-A1 AMINOQUINAZOLINE CANNABINOID RECEPTOR MODULATORS FOR TREATMENT OF DISEASE KALYPSYS, INC. (US) 2008-12-24 WO disclosed
US-20080234299-A1 Quinazolinones MERCK PATENT GMBH (DE) 2008-09-25 US disclosed
US-20080234299-A1 Quinazolinones MERCK PATENT GMBH (DE) 2008-09-25 US disclosed
WO-2008111540-A1 FUSED RING AROMATIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE USING SAME CANON KABUSHIKI KAISHA (JP) 2008-09-18 WO disclosed
EP-0298388-B1 A toner for developing electrostatic latent images and a method of preparing the toner ORIENT CHEMICAL IND (JP) 1993-12-22 EP disclosed
US-4996339-A Colorless ORIENT CHEMICAL INDUSTRIES, LTD. (JP) 1991-02-26 US disclosed
US-4855208-A Toner for developing electrostatic latent images ORIENT CHEMICAL INDUSTRIES LTD. (JP) 1989-08-08 US disclosed
EP-0298388-A2 A toner for developing electrostatic latent images and a method of preparing the toner ORIENT CHEMICAL INDUSTRIES, LTD. (JP) 1989-01-11 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-20080234299-A1 Quinazolinones H1-3, NDUFS3, CCNT1 ALDH1A1 1410/4885KDM4E 1973/4885HPGD 2847/4885
US-20240374598-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION EIF2AK2, SAMHD1, POLR2H ALDH1A1 3838/4885KDM4E 2356/4885HPGD 2008/4885
US-20210379071-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION EIF2AK2, SAMHD1, POLR2H ALDH1A1 3838/4885KDM4E 2356/4885HPGD 2008/4885

“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.