SCHEMBL17833604

SCHEMBL17833604

COc1cc(Cl)ccc1-c1cc2c3ccccc3c(B(c3ccccc3)c3ccccc3)cc2c2ccccc12

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 7/20 0.36
TRPV4 Q9HBA0 1/20 0.35
HSP90AA1 P07900 1/20 0.35
HSP90AB1 P08238 1/20 0.35
TSHR P16473 2/20 0.35
METAP2 P50579 1/20 0.35
MEN1 O00255 1/20 0.35
NPC1 O15118 1/20 0.35
POLB P06746 1/20 0.35
KMT2A Q03164 1/20 0.35
ALDH1A1 P00352 1/20 0.35
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C19 P33261 1/20 0.34
GRM5 P41594 1/20 0.33
AURKA O14965 1/20 0.33
AURKB Q96GD4 1/20 0.33
AKR1C3 P42330 1/20 0.33
AKR1C2 P52895 1/20 0.33
CCNT1 O60563 1/20 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
SCHEMBL17833617 0.91 CRHR1 (0.34) CRHR1HSP90AA1HSP90AB1METAP2MEN1
SCHEMBL17833616 0.90 AURKA (0.36) CRHR1KMT2AALDH1A1GRM5AURKA
SCHEMBL17833630 0.90 CRHR1 (0.35) CRHR1HSP90AA1HSP90AB1METAP2MEN1
SCHEMBL17833607 0.89 HSP90AA1 (0.36) CRHR1TRPV4HSP90AA1HSP90AB1TSHR
SCHEMBL17879925 0.88 TRPV4 (0.38) CRHR1TRPV4HSP90AA1HSP90AB1TSHR
SCHEMBL17883779 0.86 CRHR1 (0.41) CRHR1TRPV4HSP90AA1HSP90AB1TSHR
SCHEMBL17833632 0.84 KMT2A (0.41) MEN1NPC1POLBKMT2AALDH1A1
SCHEMBL17833621 0.83 HSP90AA1 (0.35) CRHR1TRPV4HSP90AA1HSP90AB1TSHR
SCHEMBL17833602 0.82 SLC16A3 (0.37) CRHR1MEN1POLBKMT2AALDH1A1
SCHEMBL17833642 0.80 CRHR1 (0.36) CRHR1HSP90AA1HSP90AB1MEN1KMT2A

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-9831445-B2 Condensed cyclic compound and organic light-emitting device including the same SAMSUNG DISPLAY CO., LTD. (KR) 2017-11-28 US disclosed
US-9831445-B2 Condensed cyclic compound and organic light-emitting device including the same SAMSUNG DISPLAY CO., LTD. (KR) 2017-11-28 US disclosed
US-20160172594-A1 CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2016-06-16 US disclosed
US-20160172594-A1 CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2016-06-16 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 (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-20160172594-A1 CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME CRY1, CRY2, CCNE2 CRHR1 858/4885TRPV4 1128/4885HSP90AA1 3780/4885

“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.