SCHEMBL3100736

SCHEMBL3100736

O=C(O)C1(Cl)C(Cl)(C(=O)O)C(Cl)(C(=O)O)C1(Cl)C(=O)O

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 1/20 0.33
FFAR3 O14843 1/20 0.32
TSHR P16473 2/20 0.31
ALDH1A1 P00352 2/20 0.31
LMNA P02545 1/20 0.31
TP53 P04637 1/20 0.31
KDM4E B2RXH2 1/20 0.30
CYP1A2 P05177 1/20 0.30
ALOX15 P16050 1/20 0.30
CYP2C19 P33261 1/20 0.30

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
SCHEMBL3693849 0.81 ALDH1A1 (0.31) TSHRALDH1A1TP53ALOX15
SCHEMBL9639662 0.75 FFAR3 (0.36) FFAR3
Hydrochloric Acid SCHEMBL9641096 0.73 FFAR3 (0.35) FFAR3
Bicarbonate SCHEMBL29569190 0.61
Bicarbonate SCHEMBL10581402 0.61
Bicarbonate SCHEMBL27865379 0.60
SCHEMBL815 0.57
SCHEMBL16447961 0.57 CA1 (0.50) CA1CA2CA9FFAR3TSHR
Bicarbonate SCHEMBL6250699 0.57
SCHEMBL2536329 0.57 CA1 (0.50) CA1CA2CA9FFAR3TSHR

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080281112-A1 Diamine and polyamic acid derived therefrom for liquid crystal orientation applications DAILY POLYMER CO., LTD. 2008-11-13 US claimed
EP-0718666-B1 Liquid crystal-aligning agent JSR CORP (JP) 2003-03-26 EP claimed
US-5698135-A POLYAMIC ACID OBTAINED FROM REACTION OF DIANHYDRIDE OF SPECIFIED TETRACARBOXYLIC ACID AND OF CYCLOBUTANETETRACARBOXYLIC ACID WITH DIAMINE, OR POLYMER OBTAINED BY IMIDIZING SAID POLYAMIC ACID JAPAN SYNTHETIC RUBBER CO., LTD., A JAPANESE CORPORATION (JP) 1997-12-16 US claimed
EP-0718666-A1 Liquid crystal-aligning agent JAPAN SYNTHETIC RUBBER CO., LTD. (JP) 1996-06-26 EP claimed
US-7799950-B2 Diamine and polyamic acid derived therefrom for liquid crystal orientation applications DAILY POLYMER CO., LTD. (TW) 2010-09-21 US disclosed
US-20080281112-A1 Diamine and polyamic acid derived therefrom for liquid crystal orientation applications DAILY POLYMER CO., LTD. 2008-11-13 US disclosed
CN-101245088-A Diamine, and polyamic acid and polyimide prepared from diamine DAILY POLYMER CORP (CN) 2008-08-20 CN disclosed
EP-0718666-B1 Liquid crystal-aligning agent JSR CORP (JP) 2003-03-26 EP disclosed
US-5698135-A POLYAMIC ACID OBTAINED FROM REACTION OF DIANHYDRIDE OF SPECIFIED TETRACARBOXYLIC ACID AND OF CYCLOBUTANETETRACARBOXYLIC ACID WITH DIAMINE, OR POLYMER OBTAINED BY IMIDIZING SAID POLYAMIC ACID JAPAN SYNTHETIC RUBBER CO., LTD., A JAPANESE CORPORATION (JP) 1997-12-16 US disclosed
EP-0718666-A1 Liquid crystal-aligning agent JAPAN SYNTHETIC RUBBER CO., LTD. (JP) 1996-06-26 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-20080281112-A1 Diamine and polyamic acid derived therefrom for liquid crystal orientation applications DAO, F12, PARG CA1 58/4885CA2 691/4885CA9 600/4885

“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.