SCHEMBL6183451

SCHEMBL6183451

Cc1cccc(C(=O)C2CC2)c1

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.61
MGLL Q99685 2/20 0.57
HSD11B1 P28845 1/20 0.57
MEN1 O00255 3/20 0.57
KMT2A Q03164 3/20 0.57
PARP1 P09874 1/20 0.55
NPC1 O15118 1/20 0.53
RAB9A P51151 1/20 0.53
HDAC8 Q9BY41 1/20 0.52
HDAC6 Q9UBN7 1/20 0.52
CYP2D6 P10635 1/20 0.50
HPGD P15428 2/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
EPHX1 P07099 1/20 0.48
KCNK3 O14649 1/20 0.47
KCNH2 Q12809 1/20 0.47
KCNK9 Q9NPC2 1/20 0.47
TDP1 Q9NUW8 1/20 0.47

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
SCHEMBL10025158 0.91 NPC1 (0.60) ALDH1A1MGLLHSD11B1MEN1KMT2A
SCHEMBL4671332 0.90 MEN1 (0.66) ALDH1A1MGLLHSD11B1MEN1KMT2A
Hydrochloric Acid SCHEMBL16432330 0.88 MEN1 (0.69) ALDH1A1MGLLHSD11B1MEN1KMT2A
SCHEMBL4671330 0.88 ALDH1A1 (0.55) ALDH1A1MGLLHSD11B1MEN1KMT2A
Bromide SCHEMBL10966281 0.88 MEN1 (0.64) ALDH1A1MGLLHSD11B1MEN1KMT2A
SCHEMBL2987582 0.87 ALDH1A1 (0.53) ALDH1A1MGLLHSD11B1MEN1KMT2A
SCHEMBL10965626 0.87 MGLL (0.60) ALDH1A1MGLLHSD11B1MEN1KMT2A
SCHEMBL2987583 0.87 ALDH1A1 (0.53) ALDH1A1MGLLHSD11B1MEN1KMT2A
SCHEMBL2987579 0.87 ALDH1A1 (0.53) ALDH1A1MGLLHSD11B1MEN1KMT2A
SCHEMBL14067799 0.86 NPSR1 (0.49) ALDH1A1MGLLHSD11B1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230151037-A1 GPR40 AGONISTS KALLYOPE, INC. 2023-05-18 US disclosed
US-8772500-B2 TRPV3 modulators ABBVIE INC. (US) 2014-07-08 US disclosed
US-20130131036-A1 NOVEL TRPV3 MODULATORS ABBVIE INC. (US) 2013-05-23 US disclosed
WO-2013062966-A2 NOVEL TRPV3 MODULATORS ABBVIE INC. (US) 2013-05-02 WO disclosed
US-20120289502-A1 IMIDAZOLE DERIVATIVES KYOWA HAKKO KIRIN CO., LTD. (JP) 2012-11-15 US disclosed
US-20120289502-A1 IMIDAZOLE DERIVATIVES KYOWA HAKKO KIRIN CO., LTD. (JP) 2012-11-15 US disclosed
US-8273738-B2 Imidazole derivatives KYOWA HAKKO KIRIN CO., LTD. (JP) 2012-09-25 US disclosed
US-8273738-B2 Imidazole derivatives KYOWA HAKKO KIRIN CO., LTD. (JP) 2012-09-25 US disclosed
EP-2090570-B1 IMIDAZOLE DERIVATIVE KYOWA HAKKO KIRIN CO LTD (JP) 2011-11-09 EP disclosed
US-8044042-B2 Thienotriazolodiazepine compound and medicinal use thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2011-10-25 US disclosed
US-8044042-B2 Thienotriazolodiazepine compound and medicinal use thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2011-10-25 US disclosed
US-20100152178-A1 IMIDAZOLE DERIVATIVES KYOWA HAKKO KIRIN CO., LTD. (JP) 2010-06-17 US disclosed
US-20100152178-A1 IMIDAZOLE DERIVATIVES KYOWA HAKKO KIRIN CO., LTD. (JP) 2010-06-17 US disclosed
US-20100041643-A1 THIENOTRIAZOLODIAZEPINE COMPOUND AND MEDICINAL USE THEREOF MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-02-18 US disclosed
US-20100041643-A1 THIENOTRIAZOLODIAZEPINE COMPOUND AND MEDICINAL USE THEREOF MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-02-18 US disclosed
EP-2090570-A1 IMIDAZOLE DERIVATIVE Kyowa Hakko Kirin Co., Ltd. (JP) 2009-08-19 EP disclosed
EP-1887008-A1 THIENOTRIAZOLODIAZEPINE COMPOUND AND A MEDICINAL USE THEREOF Mitsubishi Tanabe Pharma Corporation (JP) 2008-02-13 EP disclosed
EP-1492537-A1 MORPHOLINE DERIVATIVES WITH A SUBSTITUTED ACETAMIDE GROUP IN THE 2-POSITION FOR USE AS CCR-3 ANTAGONISTS FOR THE TREATMENT OF INFLAMMATORY DISEASES GLAXO GROUP LIMITED (GB) 2005-01-05 EP disclosed
WO-2003082294-A1 MORPHOLINE DERIVATIVES WITH A SUBSTITUTED ACETAMIDE GROUP IN THE 2-POSITION FOR USE AS CCR-3 ANTAGONISTS FOR THE TREATMENT OF INFLAMMATORY DISEASES GLAXO GROUP LIMITED (GB) 2003-10-09 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 (5 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-20130131036-A1 NOVEL TRPV3 MODULATORS TRPV3, TRPV4, TRPV5 ALDH1A1 2763/4885MGLL 4122/4885HSD11B1 2884/4885
US-20230151037-A1 GPR40 AGONISTS GPR119, GPR65, GLP1R ALDH1A1 1768/4885MGLL 315/4885HSD11B1 1033/4885
US-20120289502-A1 IMIDAZOLE DERIVATIVES CNR1, CNR2, ARRB1 ALDH1A1 2997/4885MGLL 385/4885HSD11B1 1158/4885
US-20100041643-A1 THIENOTRIAZOLODIAZEPINE COMPOUND AND MEDICINAL USE THEREOF ICOS, CD4, CD2 ALDH1A1 2055/4885MGLL 4371/4885HSD11B1 2761/4885
US-20100152178-A1 IMIDAZOLE DERIVATIVES CNR1, CNR2, ARRB1 ALDH1A1 2997/4885MGLL 385/4885HSD11B1 1158/4885

“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.