SCHEMBL8915282

SCHEMBL8915282

CNc1ccc(CCC(=O)O)cc1

nearest known ligand 0.62

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 14/20 0.60
FFAR4 Q5NUL3 2/20 0.59
KEAP1 Q14145 1/20 0.57
ALDH1A1 P00352 2/20 0.54
NR1H4 Q96RI1 1/20 0.54
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50

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
SCHEMBL17087191 0.89 HSD17B10 (0.61) FFAR1ALDH1A1NR1H4
SCHEMBL30593881 0.86 F2RL1 (0.52) FFAR1FFAR4
SCHEMBL13347939 0.84 ALDH1A1 (0.59) FFAR1FFAR4ALDH1A1NR1H4
SCHEMBL5652618 0.83 FFAR1 (0.63) FFAR1FFAR4KEAP1ALDH1A1NR1H4
SCHEMBL69746 0.82 FFAR1 (0.81) FFAR1FFAR4KEAP1CA1CA2
SCHEMBL10760567 0.82 ALDH1A1 (0.53) FFAR1FFAR4ALDH1A1
SCHEMBL597578 0.81 IDO1 (0.52) FFAR1ALDH1A1
SCHEMBL659263 0.81 NR1H4 (0.59) FFAR1FFAR4KEAP1ALDH1A1NR1H4
SCHEMBL11135027 0.80 TSHR (0.61) FFAR1FFAR4NR1H4
Hydrochloric Acid SCHEMBL25264643 0.80 FFAR1 (0.77) FFAR1FFAR4KEAP1CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220047724-A1 NOVEL TRICARBOCYANINE-CYCLODEXTRIN(S) CONJUGATES AND USE THEREOF CYANAGEN S R L (IT) 2022-02-17 US disclosed
US-11179481-B2 Tricarbocyanine-cyclodextrin(s) conjugates and use thereof CYANAGEN S.R.L. (IT) 2021-11-23 US disclosed
EP-3305900-B1 ENZYMATIC ENCODING METHODS FOR EFFICIENT SYNTHESIS OF LARGE LIBRARIES NUEVOLUTION AS (DK) 2021-07-21 EP disclosed
EP-2480247-B1 NOVEL NPR-B AGONISTS SHIRE ORPHAN THERAPIES GMBH (DE) 2020-02-12 EP disclosed
US-10441666-B2 Tricarbocyanine-cyclodextrin(s) conjugates and use thereof CYANAGEN S.R.L. (IT) 2019-10-15 US disclosed
US-9321766-B1 Kinase inhibitors ALLERGAN, INC. (US) 2016-04-26 US disclosed
US-20160096832-A1 KINASE INHIBITORS ALLERGAN, INC. 2016-04-07 US disclosed
US-20150328342-A1 NOVEL TRICARBOCYANINE-CYCLODEXTRIN(S) CONJUGATES AND USE THEREOF CYANAGEN S.R.L. (IT) 2015-11-19 US disclosed
US-20150328342-A1 NOVEL TRICARBOCYANINE-CYCLODEXTRIN(S) CONJUGATES AND USE THEREOF CYANAGEN S.R.L. (IT) 2015-11-19 US disclosed
EP-2944326-A1 NOVEL TRICARBOCYANINE-CYCLODEXTRIN(S) CONJUGATES AND USE THEREOF Cyanagen Srl (IT) 2015-11-18 EP disclosed
US-20120238750-A1 AROMATIC COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. 2012-09-20 US disclosed
US-8236826-B2 Diarylether derivatives as antitumor agents OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2012-08-07 US disclosed
US-8236826-B2 Diarylether derivatives as antitumor agents OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2012-08-07 US disclosed
US-8188277-B2 Aromatic compounds for suppressing the generation of collagen OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2012-05-29 US disclosed
US-8188277-B2 Aromatic compounds for suppressing the generation of collagen OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2012-05-29 US disclosed
WO-2010123996-A1 METHODS AND SYSTEMS FOR TREATING CELL PROLIFERATION DISORDERS WITH PSORALEN DERIVATIVES IMMUNOLIGHT, LLC (US) 2010-10-28 WO disclosed
US-20100004438-A1 DIARYLETHER DERIVATIVES AS ANTITUMOR AGENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2010-01-07 US disclosed
US-20100004438-A1 DIARYLETHER DERIVATIVES AS ANTITUMOR AGENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2010-01-07 US disclosed
US-20070270422-A1 Aromatic Compounds OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-11-22 US disclosed
US-20070270422-A1 Aromatic Compounds OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-11-22 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 (8 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-10441666-B2 Tricarbocyanine-cyclodextrin(s) conjugates and use thereof KRTCAP2, DSC1, TBCD FFAR1 3628/4885FFAR4 3102/4885KEAP1 1796/4885
US-20120238750-A1 AROMATIC COMPOUND CBR1, CBR3, CYP1A1 FFAR1 1263/4885FFAR4 2593/4885KEAP1 364/4885
US-20220047724-A1 NOVEL TRICARBOCYANINE-CYCLODEXTRIN(S) CONJUGATES AND USE THEREOF KRTCAP2, DSC1, TBCD FFAR1 3805/4885FFAR4 3387/4885KEAP1 1448/4885
US-20150328342-A1 NOVEL TRICARBOCYANINE-CYCLODEXTRIN(S) CONJUGATES AND USE THEREOF KRTCAP2, DSC1, TBCD FFAR1 3707/4885FFAR4 3205/4885KEAP1 1591/4885
US-11179481-B2 Tricarbocyanine-cyclodextrin(s) conjugates and use thereof KRTCAP2, DSC1, TBCD FFAR1 3628/4885FFAR4 3102/4885KEAP1 1796/4885
US-20100004438-A1 DIARYLETHER DERIVATIVES AS ANTITUMOR AGENTS ROS1, CBR1, CBR3 FFAR1 865/4885FFAR4 2072/4885KEAP1 113/4885
US-20160096832-A1 KINASE INHIBITORS ABL1, LCK, ERBB2 FFAR1 3540/4885FFAR4 4263/4885KEAP1 1734/4885
US-20070270422-A1 Aromatic Compounds COL1A1, COL2A1, COL14A1 FFAR1 1139/4885FFAR4 1833/4885KEAP1 495/4885

“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.