SCHEMBL3666780

SCHEMBL3666780

O=C1CCCC1(c1ccccc1)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.47
CYP2C9 P11712 1/20 0.47
KMT2A Q03164 1/20 0.47
AKR1C1 Q04828 1/20 0.41
ALDH1A1 P00352 1/20 0.38
DPP4 P27487 1/20 0.36
HDAC4 P56524 1/20 0.36
OPRM1 P35372 1/20 0.35
OPRK1 P41145 1/20 0.35
OPRL1 P41146 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
SCHEMBL1944655 0.94 MEN1 (0.45) MEN1CYP2C9KMT2AAKR1C1DPP4
SCHEMBL15659683 0.92 HDAC4 (0.44) MEN1CYP2C9KMT2AAKR1C1HDAC4
SCHEMBL15656775 0.92 HDAC4 (0.44) MEN1CYP2C9KMT2AAKR1C1HDAC4
SCHEMBL13853045 0.89 OPRM1 (0.41) MEN1CYP2C9KMT2AAKR1C1ALDH1A1
SCHEMBL11489569 0.86 MEN1 (0.50) MEN1CYP2C9KMT2AAKR1C1ALDH1A1
SCHEMBL29883511 0.84 MEN1 (0.48) MEN1CYP2C9KMT2AAKR1C1ALDH1A1
SCHEMBL9683265 0.81 GRIN1 (0.39) MEN1CYP2C9KMT2AAKR1C1ALDH1A1
SCHEMBL12893199 0.80 OPRM1 (0.50) KMT2AALDH1A1OPRM1OPRL1
SCHEMBL9682670 0.76 ALDH1A1 (0.43) MEN1CYP2C9KMT2AAKR1C1ALDH1A1
SCHEMBL7308988 0.75 CYP2C9 (0.44) MEN1CYP2C9KMT2AAKR1C1ALDH1A1

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
US-20230118142-A1 AGENTS FOR USE IN THE TREATMENT OF TISSUE DAMAGE UCL BUSINESS LTD (GB) 2023-04-20 US disclosed
EP-4106754-A1 AGENTS FOR USE IN THE TREATMENT OF TISSUE DAMAGE UCL Business PLC (GB) 2022-12-28 EP disclosed
EP-2735581-B1 COMPOSITION AND POLYMER ASAHI CHEMICAL IND (JP) 2021-07-14 EP disclosed
US-9738757-B2 Composition and polymer ASAHI KASEI CHEMICALS CORPORATION (JP) 2017-08-22 US disclosed
US-9487494-B2 Cyclic hydrocarbon compounds for the treatment of diseases LEO PHARMA A/S (DK) 2016-11-08 US disclosed
US-20160222168-A1 Composition and Polymer ASAHI KASEI CHEMICALS CORPORATION (JP) 2016-08-04 US disclosed
US-9334371-B2 Composition and polymer ASAHI KASEI CHEMICALS CORPORATION (JP) 2016-05-10 US disclosed
EP-2735581-A1 COMPOSITION AND POLYMER Asahi Kasei Chemicals Corporation (JP) 2014-05-28 EP disclosed
US-20140121293-A1 Composition and Polymer ASAHI KASEI CHEMICALS CORPORATION (JP) 2014-05-01 US disclosed
US-20100317582-A1 NOVEL CYCLIC HYDROCARBON COMPOUNDS FOR THE TREATMENT OF DISEASES LEO PHARMA A/S (DK) 2010-12-16 US disclosed
EP-2234961-A2 NOVEL CYCLIC HYDROCARBON COMPOUNDS FOR THE TREATMENT OF DISEASES LEO PHARMA A/S (DK) 2010-10-06 EP disclosed
WO-2009065406-A2 NOVEL CYCLIC HYDROCARBON COMPOUNDS FOR THE TREATMENT OF DISEASES LEO PHARMA A/S (DK) 2009-05-28 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 (2 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-20100317582-A1 NOVEL CYCLIC HYDROCARBON COMPOUNDS FOR THE TREATMENT OF DISEASES ARNT, AHR, CYP27A1 MEN1 686/4885CYP2C9 1077/4885KMT2A 2151/4885
US-20230118142-A1 AGENTS FOR USE IN THE TREATMENT OF TISSUE DAMAGE LPO, AOX1, MPO MEN1 3756/4885CYP2C9 3853/4885KMT2A 4316/4885

“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.