SCHEMBL19459488

SCHEMBL19459488

COc1ncc(OOC(N)=O)cc1-c1ccc(C=O)o1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 8/20 0.41
▸ KDM4E B2RXH2 6/20 0.41
▸ MAPT P10636 6/20 0.36
▸ HPGD P15428 4/20 0.36
▸ POLB P06746 6/20 0.36
▸ LMNA P02545 2/20 0.36
▸ SMN1; SMN2 Q16637 4/20 0.36
▸ L3MBTL1 Q9Y468 2/20 0.36
▸ CYP2E1 P05181 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ CYP2D6 P10635 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ CYP2B6 P20813 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ NPC1 O15118 2/20 0.33
▸ RAB9A P51151 2/20 0.33
▸ SLC9A1 P19634 1/20 0.33
▸ TP53 P04637 1/20 0.33
▸ HSP90AA1 P07900 1/20 0.33
▸ TDP1 Q9NUW8 3/20 0.33

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
SCHEMBL19459419 0.80 ALDH1A1 (0.44) ALDH1A1KDM4EMAPTHPGDPOLB
SCHEMBL19459416 0.74 ALDH1A1 (0.42) ALDH1A1KDM4EMAPTHPGDPOLB
SCHEMBL19487057 0.73 ALDH1A1 (0.44) ALDH1A1KDM4EMAPTHPGDPOLB
SCHEMBL30526242 0.73 ALDH1A1 (0.44) ALDH1A1KDM4EMAPTHPGDPOLB
SCHEMBL17671206 0.71 CSF1R (0.37) SLC9A1
SCHEMBL25344374 0.71 S100A9 (0.35) MAPTPOLB
SCHEMBL1116275 0.69 KDM4E (0.51) ALDH1A1KDM4EMAPTHPGDPOLB
SCHEMBL17671264 0.68 KDM4E (0.41) ALDH1A1KDM4EMAPTHPGDPOLB
SCHEMBL22345001 0.67 ALDH1A1 (0.43) ALDH1A1KDM4EMAPTHPGDPOLB
SCHEMBL1116268 0.67 ALDH1A1 (0.43) ALDH1A1KDM4EMAPTHPGDPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11724982-B2 Trifluoromethoxylation of arenes via intramolecular trifluoromethoxy group migration THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YORK (US) 2023-08-15 — — US disclosed
US-10676424-B2 Trifluoromethoylation of arenes via intramolecular trifluoromethoxy group migration THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YORK (US) 2020-06-09 — — US disclosed
US-20190016670-A1 TRIFLUOROMETHOXYLATION OF ARENES VIA INTRAMOLECULAR TRIFLUOROMETHOXY GROUP MIGRATION THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YORK (US) 2019-01-17 — — US disclosed
US-20170298008-A1 TRIFLUOROMETHOXYLATION OF ARENES VIA INTRAMOLECULAR TRIFLUOROMETHOXY GROUP MIGRATION THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YORK (US) 2017-10-19 — — 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 (4 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-20190016670-A1 TRIFLUOROMETHOXYLATION OF ARENES VIA INTRAMOLECULAR TRIFLUOROMETHOXY GROUP MIGRATION AHR, ARSA, ALK ALDH1A1 599/4885KDM4E 1722/4885MAPT 3743/4885
US-20170298008-A1 TRIFLUOROMETHOXYLATION OF ARENES VIA INTRAMOLECULAR TRIFLUOROMETHOXY GROUP MIGRATION AHR, ARSA, ALK ALDH1A1 549/4885KDM4E 1696/4885MAPT 3845/4885
US-11724982-B2 Trifluoromethoxylation of arenes via intramolecular trifluoromethoxy group migration AHR, AFF2, AFF4 ALDH1A1 778/4885KDM4E 2013/4885MAPT 3670/4885
US-10676424-B2 Trifluoromethoylation of arenes via intramolecular trifluoromethoxy group migration AHR, AFF2, AFF4 ALDH1A1 1123/4885KDM4E 695/4885MAPT 3625/4885

“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.

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