SCHEMBL12203517

SCHEMBL12203517

COc1cccc(-c2ccccc2C(C)(C)C)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.49
▸ KDM4E B2RXH2 1/20 0.49
▸ MEN1 O00255 1/20 0.49
▸ HPGD P15428 1/20 0.49
▸ KMT2A Q03164 1/20 0.49
▸ NPSR1 Q6W5P4 1/20 0.49
▸ BRD4 O60885 1/20 0.47
▸ CYP1A1 P04798 2/20 0.46
▸ CYP1A2 P05177 2/20 0.46
▸ CYP2E1 P05181 2/20 0.46
▸ CYP3A4 P08684 2/20 0.46
▸ CYP2C8 P10632 2/20 0.46
▸ CYP2D6 P10635 2/20 0.46
▸ CYP2A6 P11509 2/20 0.46
▸ CYP2C9 P11712 2/20 0.46
▸ CYP4B1 P13584 2/20 0.46
▸ CYP2B6 P20813 2/20 0.46
▸ CYP3A5 P20815 2/20 0.46
▸ CYP2A7 P20853 2/20 0.46
▸ CYP3A7 P24462 2/20 0.46

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
SCHEMBL9263132 0.86 ABL1 (0.59) ALDH1A1KDM4EMEN1HPGDKMT2A
SCHEMBL2020140 0.83 ABL1 (0.59) ALDH1A1BRD4CYP1A1CYP1A2CYP2E1
SCHEMBL12203379 0.80 ABL1 (0.56) CLK4LMNAABL1ABCB1BCR
SCHEMBL13211663 0.80 ABL1 (0.60) ALDH1A1BRD4CYP1A1CYP1A2CYP2E1
SCHEMBL3455245 0.80 ABL1 (0.60) ALDH1A1KDM4EBRD4CYP1A1CYP1A2
SCHEMBL3229464 0.79 ALDH1A1 (0.46) ALDH1A1KDM4EMEN1HPGDKMT2A
SCHEMBL12221333 0.79 FFAR1 (0.53) ALDH1A1KDM4EMEN1HPGDKMT2A
SCHEMBL7647539 0.78 CA1 (0.59) ALDH1A1KDM4EMEN1HPGDKMT2A
SCHEMBL13882268 0.77 FFAR1 (0.53) ALDH1A1KDM4EMEN1HPGDKMT2A
SCHEMBL2310765 0.77 FFAR1 (0.53) ALDH1A1KDM4EMEN1HPGDKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8034811-B2 Hydroxamic acid esters and pharmaceutical use thereof LEO PHARMA A/S (DK) 2011-10-11 — — US disclosed
US-8034811-B2 Hydroxamic acid esters and pharmaceutical use thereof LEO PHARMA A/S (DK) 2011-10-11 — — US disclosed
US-20070244117-A1 Novel Hydroxamic Acid Esters and Pharmaceutical Use Thereof LEO PHARMA A/S (DK) 2007-10-18 — — US disclosed
US-20070244117-A1 Novel Hydroxamic Acid Esters and Pharmaceutical Use Thereof LEO PHARMA A/S (DK) 2007-10-18 — — 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-20070244117-A1 Novel Hydroxamic Acid Esters and Pharmaceutical Use Thereof F9, F12, HDAC9 ALDH1A1 804/4885KDM4E 843/4885MEN1 3428/4885

“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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