SCHEMBL5497936

SCHEMBL5497936

COC(OC)c1ccc(C=O)cc1F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 12/20 0.43
TSHR P16473 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.40
HPGD P15428 2/20 0.40
AOX1 Q06278 1/20 0.40
TRIM24 O15164 1/20 0.40
ALDH5A1 P51649 1/20 0.40
ABAT P80404 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
TRIM33 Q9UPN9 1/20 0.40
MEN1 O00255 1/20 0.38
POLB P06746 1/20 0.38
KMT2A Q03164 1/20 0.38
CYP2A6 P11509 1/20 0.38
FDPS P14324 1/20 0.38
GAA P10253 1/20 0.36
ALDH1A3 P47895 1/20 0.35
TTR P02766 1/20 0.35
TYR P14679 1/20 0.34
KDM4E B2RXH2 1/20 0.34

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
SCHEMBL9945904 0.79 TYR (0.47) ALDH1A1TSHRSMN1; SMN2HPGDAOX1
SCHEMBL1320276 0.79 ALDH1A1 (0.61) ALDH1A1TSHRSMN1; SMN2HPGDAOX1
SCHEMBL23224343 0.77 ALDH1A1 (0.44) ALDH1A1TSHRSMN1; SMN2TDP1CYP2A6
SCHEMBL8807188 0.75 IDO1 (0.43) ALDH1A1SMN1; SMN2MEN1POLBKMT2A
SCHEMBL29820181 0.74 ALDH1A1 (0.39) ALDH1A1TSHRSMN1; SMN2HPGDMEN1
SCHEMBL24666312 0.74 ALDH1A1 (0.39) ALDH1A1TSHRSMN1; SMN2HPGDMEN1
SCHEMBL31039444 0.72 ALDH1A1 (0.36) ALDH1A1TSHRTRIM24TDP1TRIM33
SCHEMBL23257196 0.72 ALDH1A1 (0.36) ALDH1A1TSHRTRIM24TDP1TRIM33
SCHEMBL5496500 0.72 APLNR (0.54) ALDH1A1SMN1; SMN2RAB9A
SCHEMBL7531959 0.72 ALDH1A1 (0.68) ALDH1A1TSHRHPGDAOX1TRIM24

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1791807-A1 THERAPEUTIC DIPHENYL ETHER LIGANDS Pfizer Products Incorporated (US) 2007-06-06 EP disclosed
WO-2006027684-A1 THERAPEUTIC DIPHENYL ETHER LIGANDS PFIZER PRODUCTS INC. (US) 2006-03-16 WO disclosed
US-20060058361-A1 Therapeutic diphenyl ether ligands PFIZER INC 2006-03-16 US disclosed
US-6452014-B1 THIAZOLIDINEDIONE COMPOUNDS GERON CORPORATION 2002-09-17 US disclosed
US-20020120144-A1 Telomerase inhibitors and methods of their use KYOWA HAKKO KOGYO CO., LTD. (JP) 2002-08-29 US disclosed
WO-2002051409-A1 TELOMERASE INHIBITORS AND METHODS OF THEIR USE GERON CORPORATION (US) 2002-07-04 WO 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-20020120144-A1 Telomerase inhibitors and methods of their use TERT, TERF2, POT1 ALDH1A1 786/4885TSHR 1732/4885SMN1; SMN2 1512/4885
US-20060058361-A1 Therapeutic diphenyl ether ligands HTR2B, HTR2C, HTR3B ALDH1A1 997/4885TSHR 1141/4885SMN1; SMN2 1570/4885

“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.