SCHEMBL2109549

SCHEMBL2109549

O=C(O)c1ccccc1C(Cl)(Cl)Cl

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.58
ALOX15 P16050 2/20 0.56
TSHR P16473 1/20 0.48
CA12 O43570 2/20 0.48
CA1 P00915 2/20 0.48
CA2 P00918 2/20 0.48
CA4 P22748 2/20 0.48
CA7 P43166 2/20 0.48
CA9 Q16790 2/20 0.48
KDM4E B2RXH2 1/20 0.48
HMGB1 P09429 1/20 0.48
HPGD P15428 1/20 0.48
CA6 P23280 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
NAPRT Q6XQN6 1/20 0.48
CA14 Q9ULX7 1/20 0.48
MAPT P10636 2/20 0.46
HDAC8 Q9BY41 1/20 0.46
LMNA P02545 1/20 0.46
POLB P06746 1/20 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
SCHEMBL3904036 0.84 CES2 (0.44) ALDH1A1ALOX15TSHRHPGDSMN1; SMN2
SCHEMBL6949321 0.82 ALDH1A1 (0.50) ALDH1A1ALOX15TSHRCA12CA1
SCHEMBL8402762 0.81 ALDH1A1 (0.62) ALDH1A1ALOX15CA12CA1CA2
SCHEMBL31186401 0.81 ALDH1A1 (0.62) ALDH1A1ALOX15CA12CA1CA2
SCHEMBL4645833 0.81 TSHR (0.48) ALDH1A1ALOX15TSHRCA12CA1
SCHEMBL10892063 0.81 AKR1C3 (0.55) ALDH1A1MAPTLMNAAKR1C3CDC25B
SCHEMBL10616138 0.80 KDM4E (0.50) ALDH1A1TSHRKDM4EHPGDMAPT
SCHEMBL14776191 0.79 G6PD (0.55) ALDH1A1ALOX15TSHRCA12CA1
SCHEMBL27938100 0.79 ALDH1A1 (0.48) ALDH1A1ALOX15CA12CA1CA2
SCHEMBL3369246 0.79 ALDH1A1 (0.59) ALDH1A1ALOX15CA12CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5466858-A Ruthenium catalyst, high selectivity with a carboxylic acid UBE INDUSTRIES, LTD. (JP) 1995-11-14 US claimed
WO-2023146844-A1 NON-STEROIDAL ANTI-INFLAMMATORY COMPOUNDS UNIVERSITY OF HOUSTON SYSTEM (US) 2023-08-03 WO disclosed
US-20230234931-A1 NON-STEROIDAL ANTI-INFLAMMATORY COMPOUNDS UNIVERSITY OF HOUSTON SYSTEM 2023-07-27 US disclosed
US-20230176481-A1 FILM-FORMING COMPOSITION NISSAN CHEMICAL CORPORATION (JP) 2023-06-08 US disclosed
CN-115398342-A Film-forming composition 日产化学株式会社 2022-11-25 CN disclosed
US-9040268-B2 Method for controlling undesirable byproducts formation caused by contaminating organisms in the production of ethanol from syngas COSKATA, INC. (US) 2015-05-26 US disclosed
EP-1865049-B1 CLEANING AGENT FOR THERMOSTATIC CHAMBERS WAKO PURE CHEM IND LTD (JP) 2014-08-06 EP disclosed
EP-2758540-A1 METHOD FOR CONTROLLING UNDESIRABLE BYPRODUCTS FORMATION CAUSED BY CONTAMINATING ORGANISMS IN THE PRODUCTION OF ETHANOL FROM SYNGAS Coskata Energy Inc. (US) 2014-07-30 EP disclosed
CN-103958690-A Method for controlling undesirable byproducts formation caused by contaminating organisms in the production of ethanol from syngas COSKATA INC 2014-07-30 CN disclosed
US-8669375-B2 Process for producing ester compound WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2014-03-11 US disclosed
EP-0594257-A1 2-Saccharinylmethyl aryl carboxylates useful as proteolytic enzyme inhibitors and compositions and method of use thereof STERLING WINTHROP INC. (US) 1994-04-27 EP disclosed
US-5306818-A Treating degenerative diseases such as emphysema, rheumatoid arthritis and pancreatitis STERLING WINTHROP INC. (US) 1994-04-26 US disclosed
US-5296496-A Treating degenerative diseases STERLING WINTHROP INC. (US) 1994-03-22 US disclosed
US-5250696-A Treatment of degenerative diseases STERLING WINTHROP INC. (US) 1993-10-05 US disclosed
EP-0550112-A1 2-Saccharinylmethyl aryl and aryloxy acetates useful as proteolytic enzyme inhibitors and pharmaceutical compositions contaning them STERLING WINTHROP INC. (US) 1993-07-07 EP disclosed
EP-0550111-A1 2-Saccharinylmethyl heterocyclic carboxylates useful as proteolytic enzyme inhibitors and pharmaceutical compositions containing them STERLING WINTHROP INC. (US) 1993-07-07 EP disclosed
EP-0549073-A1 Novel 2-saccharinylmethyl and 4,5,6,7-tetrahydro-2-saccharinylmethyl phosphates, phosphonates and phosphinates useful as proteolytic enzyme inhibitors and compositions and method of use thereof STERLING WINTHROP INC. (US) 1993-06-30 EP disclosed
US-5187173-A Degenerative diseases such as emphysema, rheumatoid arthritis, pancreatitis, cyctic fibrosis and skin disorders STERLING WINTHROP INC. (US) 1993-02-16 US disclosed
US-5128339-A Emphysema, rheumatoid arthritis, pancreatitis STERLING WINTHROP INC. (US) 1992-07-07 US disclosed
EP-0483928-A1 2-Saccharinylmethyl aryl carboxylates useful as proteolytic enzyme inhibitors and compositions and method of use STERLING WINTHROP INC. (US) 1992-05-06 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 (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-20230234931-A1 NON-STEROIDAL ANTI-INFLAMMATORY COMPOUNDS PTGES, PTGES2, PTGS1 ALDH1A1 263/4885ALOX15 87/4885TSHR 4138/4885

“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.