SCHEMBL865918

SCHEMBL865918

CC(F)(F)C(F)(F)Oc1ccc(C(=O)Oc2ccc(C=CC(=O)O)cc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.48
ATM Q13315 1/20 0.48
MAPT P10636 6/20 0.46
KDM4E B2RXH2 1/20 0.46
SRD5A2 P31213 1/20 0.45
LMNA P02545 2/20 0.42
MAPK1 P28482 1/20 0.42
KMT2A Q03164 3/20 0.42
TDP1 Q9NUW8 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
CYP1A1 P04798 2/20 0.41
CYP1B1 Q16678 2/20 0.41
MAOB P27338 2/20 0.41
GFER P55789 1/20 0.41
NPC1 O15118 1/20 0.41
IP6K1 Q92551 1/20 0.41
IP6K3 Q96PC2 1/20 0.41
IP6K2 Q9UHH9 1/20 0.41
CYP2D6 P10635 1/20 0.40
RAB9A P51151 1/20 0.40

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
SCHEMBL865917 1.00 THRB (0.48) THRBATMMAPTKDM4ESRD5A2
SCHEMBL2672350 0.88 SRD5A2 (0.50) THRBATMMAPTKDM4ESRD5A2
SCHEMBL867432 0.88 SRD5A2 (0.50) THRBATMMAPTKDM4ESRD5A2
SCHEMBL2672355 0.88 SRD5A2 (0.50) THRBATMMAPTKDM4ESRD5A2
SCHEMBL867431 0.88 SRD5A2 (0.50) THRBATMMAPTKDM4ESRD5A2
SCHEMBL13083871 0.84 THRB (0.61) THRBATMMAPTKDM4ESRD5A2
SCHEMBL865652 0.84 SRD5A2 (0.46) THRBATMMAPTKDM4ESRD5A2
SCHEMBL2672439 0.84 SRD5A2 (0.46) THRBATMMAPTKDM4ESRD5A2
SCHEMBL2672438 0.84 SRD5A2 (0.46) THRBATMMAPTKDM4ESRD5A2
SCHEMBL865651 0.84 SRD5A2 (0.46) THRBATMMAPTKDM4ESRD5A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180079961-A1 PHOTOALIGNMENT COMPOSITION ROLIC AG (CH) 2018-03-22 US disclosed
US-20170362381-A1 THERMALLY STABLE ALIGNMENT MATERIALS ROLIC AG (CH) 2017-12-21 US disclosed
EP-1966119-B1 PHOTOCROSSLINKABLE MATERIALS ROLIC AG (CH) 2016-10-19 EP disclosed
US-8557922-B2 Photocrosslinkable materials ROLIC AG (CH) 2013-10-15 US disclosed
US-20130004679-A1 PHOTOCROSSLINKABLE MATERIALS ROLIC AG (CH) 2013-01-03 US disclosed
US-8329823-B2 Photocrosslinkable materials ROLIC AG (CH) 2012-12-11 US disclosed
US-8173749-B2 Photocrosslinkable materials ROLIC AG (CH) 2012-05-08 US disclosed
US-20120076952-A1 PHOTOCROSSLINKABLE MATERIALS ROLIC AG (CH) 2012-03-29 US disclosed
US-20080293888-A1 Photocrosslinkable Materials ROLIC AG (CH) 2008-11-27 US disclosed
EP-1966119-A1 PHOTOCROSSLINKABLE MATERIALS Rolic AG (CH) 2008-09-10 EP disclosed
EP-1860094-A1 Photocrosslinkable materials Rolic AG (CH) 2007-11-28 EP disclosed
WO-2007071091-A1 PHOTOCROSSLINKABLE MATERIALS ROLIC AG (CH) 2007-06-28 WO disclosed
EP-1801097-A1 Photocrosslinkable materials Rolic AG (CH) 2007-06-27 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-20080293888-A1 Photocrosslinkable Materials DDC, PARG, ALAD THRB 4212/4885ATM 1025/4885MAPT 295/4885
US-20120076952-A1 PHOTOCROSSLINKABLE MATERIALS DDC, PARG, ALAD THRB 4212/4885ATM 1025/4885MAPT 295/4885
US-20130004679-A1 PHOTOCROSSLINKABLE MATERIALS DDC, PARG, ALAD THRB 4212/4885ATM 1025/4885MAPT 295/4885

“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.