SCHEMBL450585

SCHEMBL450585

C[CH]OC(=O)OCCCCCC

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.53
HCAR2 Q8TDS4 2/20 0.50
EPHX1 P07099 1/20 0.50
TSHR P16473 3/20 0.48
RAD52 P43351 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
ATM Q13315 1/20 0.45
FAAH O00519 1/20 0.44
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44
ACHE P22303 6/20 0.44
DGKA P23743 1/20 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
SCHEMBL5512249 1.00 NAAA (0.53) NAAAHCAR2EPHX1TSHRRAD52
SCHEMBL5512033 1.00 NAAA (0.53) NAAAHCAR2EPHX1TSHRRAD52
SCHEMBL5514096 1.00 NAAA (0.53) NAAAHCAR2EPHX1TSHRRAD52
SCHEMBL5507449 1.00 NAAA (0.53) NAAAHCAR2EPHX1TSHRRAD52
SCHEMBL5506856 1.00 NAAA (0.53) NAAAHCAR2EPHX1TSHRRAD52
SCHEMBL5517476 1.00 NAAA (0.53) NAAAHCAR2EPHX1TSHRRAD52
SCHEMBL5510321 1.00 NAAA (0.53) NAAAHCAR2EPHX1TSHRRAD52
SCHEMBL450736 0.98 NAAA (0.50) NAAAHCAR2EPHX1TSHRRAD52
SCHEMBL444270 0.92 ATM (0.54) NAAAHCAR2EPHX1TSHRNPSR1
SCHEMBL27841060 0.84 NAAA (0.53) NAAAHCAR2EPHX1TSHRRAD52

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2212325-A2 2-ARYLMETHYLAZETIDINE-CARBAPENEM-3-CARBOXYLIC ACID ESTER DERIVATIVE OR ITS SALT, PROCESS FOR THE PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME Kukje Pharm. Ind. Co., Ltd. (KR) 2010-08-04 EP claimed
WO-2009066917-A2 2-ARYLMETHYLAZETIDINE-CARBAPENEM-3-CARBOXYLIC ACID ESTER DERIVATIVE OR ITS SALT, PROCESS FOR THE PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME KUKJE PHARM. IND. CO., LTD. (KR) 2009-05-28 WO claimed
US-20240131180-A1 DRUG ANTIBODY CONJUGATES PHARMA MAR, S.A. (ES) 2024-04-25 US disclosed
EP-4025253-B1 DRUG ANTIBODY CONJUGATES PHARMA MAR SA (ES) 2024-03-20 EP disclosed
US-20230218774-A1 DRUG ANTIBODY CONJUGATES PHARMA MAR, S.A. (ES) 2023-07-13 US disclosed
EP-4138923-A1 DRUG ANTIBODY CONJUGATES Pharma Mar, S.A. (ES) 2023-03-01 EP disclosed
US-20230012681-A1 ANTIBODY DRUG CONJUGATES COMPRISING ECTEINASCIDIN DERIVATIVES PHARMA MAR, S.A. (ES) 2023-01-19 US disclosed
EP-3870234-B1 ANTIBODY DRUG CONJUGATES COMPRISING ECTEINASCIDIN DERIVATIVES PHARMA MAR SA (ES) 2022-12-21 EP disclosed
CN-115427081-A Drug antibody conjugates 法马马有限公司 2022-12-02 CN disclosed
CN-113226377-B Antibody drug conjugates comprising an eltrinastine derivative 法马马有限公司 2022-10-18 CN disclosed
EP-4025253-A1 DRUG ANTIBODY CONJUGATES Pharma Mar S.A. (ES) 2022-07-13 EP disclosed
US-4927565-A HYPOTENSIVE AGENT BANYU PHARMACEUTICAL CO., LTD. (JP) 1990-05-22 US disclosed
US-4851387-A RENIN INHIBITORS BANYU PHARMACEUTICAL CO., LTD. (JP) 1989-07-25 US disclosed
US-4847286-A ANTIALLERGENS KYOTO PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1989-07-11 US disclosed
EP-0272583-A2 5-Substituted amino-4-hydroxy-pentenoic acid derivatives and their use Banyu Pharmaceutical Co., Ltd. (JP) 1988-06-29 EP disclosed
EP-0264106-A2 5-Substituted amino-4-hydroxy-pentanoic acid derivatives and their use Banyu Pharmaceutical Co., Ltd. (JP) 1988-04-20 EP disclosed
EP-0108942-B1 CEPHALOSPORIN DERIVATIVES, METHODS OF PRODUCTION THEREOF AND PROPHYLACTIC AND THERAPEUTIC AGENTS FOR BACTERIAL INFECTION KYOTO PHARMA IND (JP) 1988-03-02 EP disclosed
EP-0233946-A1 CHROMOGLYCIC ACID DERIVATIVES, PROCESS FOR THEIR PREPARATION, AND MEDICINAL COMPOSITION Kyoto Pharmaceutical Industries, Ltd. (JP) 1987-09-02 EP disclosed
US-4605651-A BACTERICIDES KYOTO PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1986-08-12 US disclosed
EP-0108942-A2 Cephalosporin derivatives, methods of production thereof and prophylactic and therapeutic agents for bacterial infection Kyoto Pharmaceutical Industries, Ltd. (JP) 1984-05-23 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-20240131180-A1 DRUG ANTIBODY CONJUGATES STT3B, STT3A, TTL NAAA 507/4885HCAR2 1623/4885EPHX1 1851/4885
US-20230012681-A1 ANTIBODY DRUG CONJUGATES COMPRISING ECTEINASCIDIN DERIVATIVES HDGF, XPOT, TXLNA NAAA 663/4885HCAR2 3093/4885EPHX1 824/4885
US-20230218774-A1 DRUG ANTIBODY CONJUGATES B3GAT3, MGAT3, SDAD1 NAAA 1828/4885HCAR2 3414/4885EPHX1 1218/4885

“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.