SCHEMBL164836

SCHEMBL164836

Nc1cc(I)ccc1C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.53
KDM4E B2RXH2 7/20 0.53
HPGD P15428 2/20 0.53
HSD17B10 Q99714 2/20 0.53
TDP1 Q9NUW8 5/20 0.52
CYP3A4 P08684 3/20 0.52
ALOX15 P16050 2/20 0.52
PPM1B O75688 1/20 0.50
IDO1 P14902 1/20 0.48
KMT2A Q03164 5/20 0.47
GFER P55789 1/20 0.47
RXFP1 Q9HBX9 1/20 0.47
PTPN1 P18031 2/20 0.46
PTPRC P08575 1/20 0.46
PTPN2 P17706 1/20 0.46
PTPRA P18433 1/20 0.46
PTPRB P23467 1/20 0.46
PTPRE P23469 1/20 0.46
PTPN6 P29350 1/20 0.46
MAPT P10636 5/20 0.45

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
SCHEMBL27682200 0.83 KDM4E (0.63) ALDH1A1KDM4EHPGDHSD17B10TDP1
SCHEMBL145394 0.83 KDM4E (0.63) ALDH1A1KDM4EHPGDHSD17B10TDP1
SCHEMBL167586 0.83 MAP2K2 (0.44) ALDH1A1KDM4EHPGDHSD17B10TDP1
SCHEMBL29622706 0.83 KDM4E (0.63) ALDH1A1KDM4EHPGDHSD17B10TDP1
SCHEMBL3911100 0.81 IP6K1 (0.42) ALDH1A1KDM4EHPGDHSD17B10TDP1
Ammonia Solution, Strong SCHEMBL2316519 0.81 KDM4E (0.61) ALDH1A1KDM4EHPGDHSD17B10TDP1
SCHEMBL522679 0.79 PTPN1 (0.55) ALDH1A1KDM4EHSD17B10TDP1CYP3A4
SCHEMBL588405 0.77 PTPN1 (0.48) ALDH1A1KDM4ECYP3A4ALOX15IDO1
SCHEMBL715406 0.77 KDM4E (0.65) ALDH1A1KDM4EHPGDHSD17B10TDP1
SCHEMBL29436316 0.77 PPM1B (0.75) 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 147 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104070307-B Solder flux composition and solder composition 株式会社田村制作所 2018-02-23 CN claimed
EP-4630001-A1 SUBSTITUTED QUINAZOLINE DERIVATIVES AND METHODS OF USE THEREOF Merck Sharp & Dohme LLC (US) 2025-10-15 EP disclosed
US-20250221979-A1 NOVEL HETEROCYCLIC COMPOUND SHOUYAO HOLDINGS BEIJING CO LTD (CN) 2025-07-10 US disclosed
EP-4501912-A1 NOVEL HETEROCYCLIC COMPOUND Shouyao Holdings (Beijing) Co., Ltd. (CN) 2025-02-05 EP disclosed
CN-118475560-A Novel heterocyclic compound 首药控股(北京)股份有限公司 2024-08-09 CN disclosed
WO-2024123585-A1 SUBSTITUTED QUINAZOLINE DERIVATIVES AND METHODS OF USE THEREOF MERCK SHARP & DOHME LLC (US) 2024-06-13 WO disclosed
US-20240066136-A1 MODIFIED PROTEINS AND PROTEIN DEGRADERS CULLGEN (SHANGHAI), INC. (CN) 2024-02-29 US disclosed
US-20240066136-A1 MODIFIED PROTEINS AND PROTEIN DEGRADERS CULLGEN (SHANGHAI), INC. (CN) 2024-02-29 US disclosed
US-20240066136-A1 MODIFIED PROTEINS AND PROTEIN DEGRADERS CULLGEN (SHANGHAI), INC. (CN) 2024-02-29 US disclosed
CN-116924983-A Novel heterocyclic compound 首药控股(北京)股份有限公司 2023-10-24 CN disclosed
US-4933156-A Amyloidosis and Alzheimer's disease diagnostic assay and reagents therefor SALUTAR, INC. (US) 1990-06-12 US disclosed
US-4847365-A POLYAMIDES, POLYESTERS, OLEFIN POLYMERS CIBA-GEIGY CORPORATION (US) 1989-07-11 US disclosed
EP-0287909-A1 Amyloidosis and Alzheimer's disease diagnostic assay and reagents therefor SALUTAR, INC. (US) 1988-10-26 EP disclosed
US-4745116-A INHIBITORS OF SERINE PROTEASE SYNTEX (U.S.A.) INC. (US) 1988-05-17 US disclosed
US-4665070-A SERINE PROTEINASE INHIBITORS SYNTEX (U.S.A.) INC. (US) 1987-05-12 US disclosed
US-4657893-A ANTIINFLAMMATORY AGENTS SYNTEX (U.S.A.) INC. (US) 1987-04-14 US disclosed
EP-0206323-A1 2-Oxy-4H-3,1-benzoxazin-4-one derivatives and related compounds SYNTEX (U.S.A.) INC. (US) 1986-12-30 EP disclosed
EP-0183651-A2 Metal complexes, process for their preparation and their use CIBA-GEIGY AG (CH) 1986-06-04 EP disclosed
EP-0147211-A2 4H-3,1-benzoxazin-4-ones and related compounds, pharmaceutical compositions containing them, and processes for their preparation SYNTEX (U.S.A.) INC. (US) 1985-07-03 EP disclosed
US-4221800-A ANTIALLERGENS, ANTIHISTAMINES MILES LABORATORIES, INC. (US) 1980-09-09 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 (2 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-20250221979-A1 NOVEL HETEROCYCLIC COMPOUND MAPT, MNAT1, MAT2A ALDH1A1 996/4885KDM4E 3698/4885HPGD 2894/4885
US-20240066136-A1 MODIFIED PROTEINS AND PROTEIN DEGRADERS DDB1, DCLRE1A, MDM2 ALDH1A1 1427/4885KDM4E 786/4885HPGD 3064/4885

“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.