SCHEMBL1918552

SCHEMBL1918552

N#C/C=C1\c2ccccc2CCc2cc(CO)ccc21

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRD5A1 P18405 1/20 0.37
SRD5A2 P31213 1/20 0.37
CTSC P53634 1/20 0.36
SLC6A2 P23975 4/20 0.35
CYP3A4 P08684 4/20 0.35
CYP1A2 P05177 3/20 0.35
RET P07949 3/20 0.35
LMNA P02545 3/20 0.35
RAB9A P51151 3/20 0.35
ADRB2 P07550 2/20 0.35
CHRM2 P08172 2/20 0.35
CHRM4 P08173 2/20 0.35
ADRB1 P08588 2/20 0.35
HTR1A P08908 2/20 0.35
CHRM5 P08912 2/20 0.35
ADRA2A P08913 2/20 0.35
CYP2D6 P10635 2/20 0.35
CHRM1 P11229 2/20 0.35
DRD2 P14416 2/20 0.35
ADRA2B P18089 2/20 0.35

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
SCHEMBL1918556 1.00 SRD5A1 (0.37) SRD5A1SRD5A2CTSCSLC6A2CYP3A4
SCHEMBL4364540 1.00 SRD5A1 (0.37) SRD5A1SRD5A2CTSCSLC6A2CYP3A4
SCHEMBL1917996 0.86 LMNA (0.35) SRD5A1SRD5A2CTSCSLC6A2CYP3A4
SCHEMBL1918496 0.86 LMNA (0.35) SRD5A1SRD5A2CTSCSLC6A2CYP3A4
SCHEMBL1918498 0.86 LMNA (0.35) SRD5A1SRD5A2CTSCSLC6A2CYP3A4
SCHEMBL1917993 0.86 LMNA (0.35) SRD5A1SRD5A2CTSCSLC6A2CYP3A4
SCHEMBL1917028 0.83 HTR2B (0.42) SLC6A2CYP1A2LMNACHRM2CHRM4
SCHEMBL1917023 0.83 HTR2B (0.42) SLC6A2CYP1A2LMNACHRM2CHRM4
SCHEMBL1918280 0.83 HTR2B (0.42) SLC6A2CYP1A2LMNACHRM2CHRM4
SCHEMBL16064651 0.82 SRD5A1 (0.51) SRD5A1SRD5A2RAB9ATP53NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3081213-B1 TRICYCLIC COMPOUND KYOWA KIRIN CO LTD (JP) 2020-04-01 EP disclosed
US-9475805-B2 Tricyclic compound KYOWA HAKKO KIRIN CO., LTD. (JP) 2016-10-25 US disclosed
EP-3081213-A1 TRICYCLIC COMPOUND Kyowa Hakko Kirin Co., Ltd. (JP) 2016-10-19 EP disclosed
US-20150291587-A1 TRICYCLIC COMPOUND KYOWA KIRIN CO., LTD. (JP) 2015-10-15 US disclosed
EP-1988091-B1 TRICYCLIC COMPOUNDS KYOWA HAKKO KIRIN CO LTD (JP) 2015-06-10 EP disclosed
US-20130267711-A1 TRICYCLIC COMPOUND KYOWA HAKKO KIRIN CO LTD (JP) 2013-10-10 US disclosed
US-8486980-B2 Tricyclic compound KYOWA HAKKO KIRIN CO., LTD. (JP) 2013-07-16 US disclosed
US-8242151-B2 Tricyclic compounds KYOWA HAKKO KIRIN CO., LTD. (JP) 2012-08-14 US disclosed
US-20110201640-A1 TRICYCLIC COMPOUND KYOWA HAKKO KIRIN CO., LTD. (JP) 2011-08-18 US disclosed
EP-2327690-A1 TRICYCLIC COMPOUND Kyowa Hakko Kirin Co., Ltd. (JP) 2011-06-01 EP disclosed
US-20090176760-A1 TRICYCLIC COMPOUNDS KYOWA HAKKO KOGYO CO., LTD. (JP) 2009-07-09 US disclosed
EP-1988091-A1 TRICYCLIC COMPOUNDS Kyowa Hakko Kogyo Co., Ltd (JP) 2008-11-05 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 (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-20150291587-A1 TRICYCLIC COMPOUND PPARA, PPARG, PPARD SRD5A1 1120/4885SRD5A2 1433/4885CTSC 472/4885
US-20130267711-A1 TRICYCLIC COMPOUND PPARA, PPARG, PPARD SRD5A1 1120/4885SRD5A2 1433/4885CTSC 472/4885
US-20110201640-A1 TRICYCLIC COMPOUND PPARG, PPARA, PPARD SRD5A1 767/4885SRD5A2 898/4885CTSC 864/4885
US-20090176760-A1 TRICYCLIC COMPOUNDS PPARG, PPARD, PPARA SRD5A1 816/4885SRD5A2 737/4885CTSC 1436/4885

“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.