SCHEMBL13902883

SCHEMBL13902883

Cc1ccc2c(c1C)OCCO2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 2/20 0.46
ADRA2C P18825 2/20 0.46
ADRA1D P25100 2/20 0.46
ADRA1A P35348 2/20 0.46
ADRA1B P35368 2/20 0.46
ADRA2B P18089 1/20 0.45
ALDH1A1 P00352 5/20 0.44
KDM4E B2RXH2 3/20 0.44
HPGD P15428 3/20 0.44
HSD17B10 Q99714 3/20 0.44
HTT P42858 2/20 0.44
ITGB2 P05107 1/20 0.39
ICAM1 P05362 1/20 0.39
ITGAL P20701 1/20 0.39
MEN1 O00255 2/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
KMT2A Q03164 2/20 0.36
GAA P10253 2/20 0.35
TSHR P16473 1/20 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
SCHEMBL12446380 0.82 ALDH1A1 (0.40) ADRA2AADRA2CADRA1DADRA1AADRA1B
SCHEMBL8334782 0.82 NQO2 (0.46) ALDH1A1HSD17B10NPC1RAB9ATSHR
SCHEMBL8405592 0.82 ADRA2A (0.46) ADRA2AADRA2CADRA1DADRA1AADRA1B
SCHEMBL23870266 0.78 ADRA2A (0.44) ADRA2AADRA2CADRA1DADRA1AADRA1B
SCHEMBL7473749 0.78 ADRA2A (0.44) ADRA2AADRA2CADRA1DADRA1AADRA1B
SCHEMBL12116986 0.78 ALDH1A1 (0.38) ADRA2AADRA2CADRA1DADRA1AADRA1B
SCHEMBL25166705 0.78 HTT (0.38) ADRA2AADRA2CADRA1DADRA1AADRA1B
SCHEMBL14188444 0.78 ALDH1A1 (0.41) ADRA2AADRA2CADRA1DADRA1AADRA1B
SCHEMBL20729436 0.78 ALDH1A1 (0.39) ADRA2AADRA2CADRA1DADRA1AADRA1B
SCHEMBL16066059 0.78 ADRA2A (0.44) ADRA2AADRA2CADRA1DADRA1AADRA1B

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 28 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170144973-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE AS RETINOID-RELATED ORPHAN RECEPTOR (ROR) GAMMA-T INHIBITORS Takenda Pharmaceutical Company Limited (JP) 2017-05-25 US disclosed
US-20170144973-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE AS RETINOID-RELATED ORPHAN RECEPTOR (ROR) GAMMA-T INHIBITORS Takenda Pharmaceutical Company Limited (JP) 2017-05-25 US disclosed
US-9650343-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-05-16 US disclosed
US-9650343-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-05-16 US disclosed
US-9630924-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-04-25 US disclosed
US-9630924-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-04-25 US disclosed
US-9624234-B2 Heterocyclic compounds and methods for their use NOVARTIS AG (CH) 2017-04-18 US disclosed
US-9624234-B2 Heterocyclic compounds and methods for their use NOVARTIS AG (CH) 2017-04-18 US disclosed
US-20170050974-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-02-23 US disclosed
US-9573903-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-02-21 US disclosed
WO-2016002968-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE AS RETINOID-RELATED ORPHAN RECEPTOR (ROR) GAMMA-T INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-01-07 WO disclosed
US-20160002169-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-01-07 US disclosed
US-20160002169-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-01-07 US disclosed
US-20150322092-A1 Boron-Containing Diacylhydrazines INTREXON CORPORATION (US) 2015-11-12 US disclosed
US-9127024-B2 Boron-containing diacylhydrazines INTREXON CORPORATION (US) 2015-09-08 US disclosed
US-20150218180-A1 Heterocyclic compounds and methods for their use SPINIFEX PHARMACEUTICALS PTY LTD (AU) 2015-08-06 US disclosed
US-20150218180-A1 Heterocyclic compounds and methods for their use SPINIFEX PHARMACEUTICALS PTY LTD (AU) 2015-08-06 US disclosed
US-20140274954-A1 Boron-Containing Diacylhydrazines INTREXON CORPORATION 2014-09-18 US disclosed
WO-2013110135-A1 HETEROCYCLIC COMPOUNDS AND METHODS FOR THEIR USE SPINIFEX PHARMACEUTICALS PTY LTD (AU) 2013-08-01 WO disclosed
US-20090069337-A1 3' SUBSTITUTED COMPOUNDS HAVING 5-HT6 RECEPTOR AFFINITY MEMORY PHARMACEUTICALS CORPORATION (US) 2009-03-12 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 (7 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-20170050974-A1 HETEROCYCLIC COMPOUND RORC, RORB, RORA ADRA2A 679/4885ADRA2C 424/4885ADRA1D 870/4885
US-20090069337-A1 3' SUBSTITUTED COMPOUNDS HAVING 5-HT6 RECEPTOR AFFINITY HTR6, HTR3A, HTR3B ADRA2A 41/4885ADRA2C 25/4885ADRA1D 63/4885
US-20150322092-A1 Boron-Containing Diacylhydrazines CD22, BRDT, BCR ADRA2A 2520/4885ADRA2C 2696/4885ADRA1D 2428/4885
US-20170144973-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE AS RETINOID-RELATED ORPHAN RECEPTOR (ROR) GAMMA-T INHIBITORS RORC, RORB, RORA ADRA2A 497/4885ADRA2C 475/4885ADRA1D 753/4885
US-20150218180-A1 Heterocyclic compounds and methods for their use AGTR2, AGTR1, OPRL1 ADRA2A 145/4885ADRA2C 99/4885ADRA1D 209/4885
US-20140274954-A1 Boron-Containing Diacylhydrazines CD22, BRDT, BCR ADRA2A 2520/4885ADRA2C 2696/4885ADRA1D 2428/4885
US-20160002169-A1 HETEROCYCLIC COMPOUND RORC, RORB, RORA ADRA2A 679/4885ADRA2C 412/4885ADRA1D 970/4885

“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.