SCHEMBL18456117

SCHEMBL18456117

CC1(C)c2ccccc2-c2c(-c3ccc(-c4nc(-c5cccc6c5-c5ccccc5C65c6ccccc6-c6ccccc65)c5ccccc5n4)cc3)cccc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
ADORA2A P29274 5/20 0.36
NPC1 O15118 2/20 0.35
XBP1 P17861 2/20 0.35
HTT P42858 2/20 0.35
RAB9A P51151 2/20 0.35
NPSR1 Q6W5P4 2/20 0.35
CYP1A2 P05177 8/20 0.34
CYP1A1 P04798 6/20 0.34
CYP1B1 Q16678 4/20 0.34
KDM4E B2RXH2 2/20 0.34
LMNA P02545 2/20 0.34
CYP3A4 P08684 2/20 0.34
CYP2D6 P10635 2/20 0.34
MAPT P10636 2/20 0.34
CYP2C9 P11712 2/20 0.34
HPGD P15428 2/20 0.34
TSHR P16473 2/20 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
SCHEMBL18456030 0.91 ADORA2A (0.36) ATMMEN1KMT2AADORA2ACYP1A2
SCHEMBL18455710 0.90 ATM (0.50) ATMMEN1KMT2AADORA2ANPC1
SCHEMBL18456034 0.90 MEN1 (0.46) ATMMEN1KMT2AADORA2ANPC1
SCHEMBL18456151 0.89 WHR1 (0.36) ATMMEN1KMT2ANPC1HTT
SCHEMBL18455709 0.89 MEN1 (0.52) ATMMEN1KMT2AADORA2ANPC1
SCHEMBL18456318 0.88 MEN1 (0.47) ATMMEN1KMT2AADORA2AMAPT
SCHEMBL18456316 0.84 ADORA2A (0.35) ATMMEN1KMT2AADORA2ACYP1A2
SCHEMBL18456219 0.83 MEN1 (0.36) ATMMEN1KMT2AADORA2ANPC1
SCHEMBL18456216 0.83 ADORA2A (0.38) ATMMEN1KMT2AADORA2ACYP1A2
SCHEMBL18456161 0.83 MEN1 (0.46) ATMMEN1KMT2ANPC1XBP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11201296-B2 Compounds having fluorene structures MERCK PATENT GMBH (DE) 2021-12-14 US disclosed
EP-3328850-B1 COMPOUNDS HAVING FLUORENE STRUCTURES MERCK PATENT GMBH (DE) 2020-11-11 EP disclosed
US-20180226587-A1 COMPOUNDS HAVING FLUORENE STRUCTURES MERCK PATENT GMBH (DE) 2018-08-09 US disclosed
US-20180226587-A1 COMPOUNDS HAVING FLUORENE STRUCTURES MERCK PATENT GMBH (DE) 2018-08-09 US disclosed
WO-2017016667-A1 COMPOUNDS HAVING FLUORENE STRUCTURES MERCK PATENT GMBH (DE) 2017-02-02 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-20180226587-A1 COMPOUNDS HAVING FLUORENE STRUCTURES FSCN1, EFNA1, FLNA ATM 4239/4885MEN1 1658/4885KMT2A 2095/4885
US-11201296-B2 Compounds having fluorene structures FSCN1, EFNA1, FLNA ATM 4239/4885MEN1 1658/4885KMT2A 2095/4885

“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.