SCHEMBL7672430

SCHEMBL7672430

CCN(CC)c1cccc(CO)c1

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.60
▸ CYP3A4 P08684 1/20 0.60
▸ S1PR1 P21453 10/20 0.59
▸ TSHR P16473 1/20 0.47
▸ THRA P10827 1/20 0.44
▸ THRB P10828 1/20 0.44
▸ CNR2 P34972 1/20 0.43
▸ ENPP2 Q13822 1/20 0.42
▸ TERT O14746 1/20 0.41
▸ S100B P04271 1/20 0.40
▸ PRSS1 P07477 1/20 0.40
▸ PRSS2 P07478 1/20 0.40
▸ PRSS3 P35030 1/20 0.40
▸ CRHBP P24387 1/20 0.40
▸ CRHR2 Q13324 1/20 0.40
▸ MTNR1B P49286 1/20 0.40

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
SCHEMBL7212314 0.85 ALDH1A1 (0.56) ALDH1A1CYP3A4S1PR1TSHRTHRA
SCHEMBL15127573 0.85 S1PR1 (0.57) ALDH1A1CYP3A4S1PR1CNR2ENPP2
SCHEMBL8194795 0.83 ALDH1A1 (0.59) ALDH1A1CYP3A4S1PR1TSHRTHRA
SCHEMBL3385658 0.83 ALDH1A1 (0.59) ALDH1A1CYP3A4S1PR1TSHRTHRA
SCHEMBL15014146 0.82 S1PR1 (0.46) ALDH1A1CYP3A4S1PR1TSHRENPP2
SCHEMBL4663824 0.82 S1PR1 (0.48) ALDH1A1CYP3A4S1PR1CNR2ENPP2
SCHEMBL1574035 0.80 ALDH1A1 (0.71) ALDH1A1CYP3A4S1PR1TSHRTHRB
SCHEMBL8126760 0.80 ALDH1A1 (0.55) ALDH1A1CYP3A4S1PR1TSHRTHRA
SCHEMBL7672423 0.80 ALDH1A1 (0.55) ALDH1A1CYP3A4S1PR1TSHRTHRA
SCHEMBL13778840 0.80 ALDH1A1 (0.55) ALDH1A1CYP3A4S1PR1TSHRTHRA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9340673-B1 Blue dye compound, blue resin composition for color filter containing same and color filtering using same KYUNG-IN SYNTHETIC CO., LTD. (KR) 2016-05-17 — — US disclosed
US-20160122545-A1 BLUE DYE COMPOUND, BLUE RESIN COMPOSITION FOR COLOR FILTER CONTAINING SAME AND COLOR FILTER USING SAME KYUNG-IN SYNTHETIC CO., LTD. (KR) 2016-05-05 — — US disclosed
US-20100228026-A1 NOVEL MALONIC ACID SULFONAMIDE DERIVATIVE AND PHARMACEUTICAL USE THEREOF MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-09-09 — — US disclosed
US-6476021-B1 Compounds having cGMP-PDE inhibitory effect MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2002-11-05 — — US disclosed
EP-1048666-A1 NOVEL COMPOUNDS HAVING cGMP-PDE INHIBITORY EFFECT MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2000-11-02 — — EP disclosed
US-5538970-A Treatment of cancer with imidazo-1,2-pyridazin compounds GLAXO WELLCOME INC. (US) 1996-07-23 — — US disclosed
US-5447956-A Anticarcinogenic agents BURROUGHS WELLCOME CO. (US) 1995-09-05 — — US disclosed
US-5380759-A Methyl N-[6-(3,4,5-trimethoxybenzloxy)imidazo[1,2-b]pyridazin-2-zyl]carbamate used to treat leukemia BURROUGHS WELLCOME CO. (US) 1995-01-10 — — US disclosed
US-5371219-A Antitumor agents BURROUGHS WELLCOME CO. (US) 1994-12-06 — — US disclosed
EP-0305093-B1 Imidazo(1,2-b)pyridazine derivatives WELLCOME FOUND (GB) 1994-04-06 — — EP disclosed
US-5091531-A Antitumor agents BURROUGHS WELLCOME CO. (US) 1992-02-25 — — US disclosed
EP-0305093-A1 Imidazo(1,2-b)pyridazine derivatives THE WELLCOME FOUNDATION LIMITED (GB) 1989-03-01 — — EP disclosed
US-3979429-A DISPERSE DYES SANDOZ LTD. (CH) 1976-09-07 — — 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-20100228026-A1 NOVEL MALONIC ACID SULFONAMIDE DERIVATIVE AND PHARMACEUTICAL USE THEREOF REN, AGTR2, AGTR1 ALDH1A1 617/4885CYP3A4 1945/4885S1PR1 1377/4885

“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.

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