SCHEMBL4911340

SCHEMBL4911340

O=C(O)C=CC1=CC(O)c2ccccc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 4/20 0.44
HDAC3 O15379 1/20 0.44
TNKS O95271 1/20 0.44
HDAC4 P56524 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC7 Q8WUI4 1/20 0.44
HDAC2 Q92769 1/20 0.44
HDAC10 Q969S8 1/20 0.44
HDAC11 Q96DB2 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
TNKS2 Q9H2K2 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
HDAC9 Q9UKV0 1/20 0.44
HDAC5 Q9UQL6 1/20 0.44
CA1 P00915 2/20 0.40
CA2 P00918 2/20 0.40
CA4 P22748 2/20 0.40
NFKB1 P19838 1/20 0.40
PTGER1 P34995 2/20 0.37
PTGER3 P43115 2/20 0.37

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
SCHEMBL9960569 0.74 APEX1 (0.50) HTTEDNRBEDNRACYP2C9
SCHEMBL9960776 0.69 MAPT (0.36) MAPTLMNA
SCHEMBL29706093 0.68 HCAR2 (0.50) HCAR2HDAC3TNKSHDAC4HDAC1
SCHEMBL9297750 0.66 NFKB1 (0.67) HCAR2HDAC3TNKSHDAC4HDAC1
SCHEMBL3404312 0.66 HDAC3 (0.42) HCAR2HDAC3TNKSHDAC4HDAC1
SCHEMBL2530115 0.66 AKR1B1 (0.41) HDAC3HDAC4HDAC7HDAC8HDAC6
SCHEMBL9960625 0.66 MAPT (0.39) HDAC3HDAC4HDAC7HDAC8HDAC6
SCHEMBL27945139 0.66 ALDH1A1 (0.39) HDAC3HDAC4HDAC7HDAC8HDAC6
SCHEMBL11811807 0.64 HCAR2 (0.46) HCAR2HDAC3TNKSHDAC4HDAC1
SCHEMBL28806317 0.63 ALDH1A1 (0.37) HDAC4HDAC2HDAC8HDAC6ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107653293-B Preparation method of specific site-hydroxylated ingenane diterpene derivative 复旦大学 2021-01-26 CN disclosed
CN-107653293-A The preparation method of specific site hydroxylating ingane type forskolin 复旦大学 2018-02-02 CN disclosed
EP-2655323-B1 INGENOL-3-ACYLATES III AND INGENOL-3-CARBAMATES LEO LABORATORIES LTD (IE) 2017-12-20 EP disclosed
US-20170217910-A1 INGENOL-3-ACYLATES III AND INGENOL-3-CARBAMATES LEO LABORATORIES LIMITED (IE) 2017-08-03 US disclosed
US-9708286-B2 Ingenol-3-acylates III and ingenol-3-carbamates LEO LABORATORIES LIMITED (IE) 2017-07-18 US disclosed
EP-2864290-B1 3-O-HETEROARYL-INGENOL LEO LABORATORIES LTD (IE) 2017-06-14 EP disclosed
WO-2017089301-A1 3-TRIAZOLO-3-DEOXY-INGENOLS LEO LABORATORIES LIMITED (IE) 2017-06-01 WO disclosed
WO-2017089300-A1 3-ALKYLAMIDO-3-DEOXY-INGENOLS LEO LABORATORIES LIMITED (IE) 2017-06-01 WO disclosed
US-9656945-B2 3-acyl-ingenols II LEO LABORATORIES LIMITED (IE) 2017-05-23 US disclosed
WO-2016173651-A1 FORMULATIONS COMPRISING INGENOL 3-(3,5-DIETHYLISOXAZOLE-4-CARBOXYLATE) LEO LABORATORIES LIMITED (IE) 2016-11-03 WO disclosed
WO-2013088380-A1 GEL COMPOSITIONS LEO LABORATORIES LIMITED (IE) 2013-06-20 WO disclosed
WO-2013088376-A1 GEL COMPOSITIONS LEO LABORATORIES LIMITED (IE) 2013-06-20 WO disclosed
WO-2012083953-A1 INGENOL-3-ACYLATES III AND INGENOL-3-CARBAMATES LEO PHARMA A/S (DK) 2012-06-28 WO disclosed
WO-2012085189-A1 INGENOL-3-ACYLATES I LEO PHARMA A/S (DK) 2012-06-28 WO disclosed
WO-2012083954-A1 3-ACYL-INGENOLS II LEO PHARMA A/S (DK) 2012-06-28 WO disclosed
US-7378445-B2 Treatment of prostate cancer PEPLIN RESEARCH PTY. LTD. (AU) 2008-05-27 US disclosed
US-20060105994-A1 Treatment of prostate cancer PEPLIN RESEARCH PTY LTD. (AU) 2006-05-18 US disclosed
US-20030171334-A1 Treatment of prostate cancer PEPLIN RESEARCH PTY LTD (AU) 2003-09-11 US disclosed
EP-1320376-A2 TREATMENT OF PROSTATE CANCER Peplin Research Pty Ltd (AU) 2003-06-25 EP disclosed
WO-2002011743-A2 TREATMENT OF PROSTATE CANCER PEPLIN RESEARCH PTY LTD (AU) 2002-02-14 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 (3 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-20170217910-A1 INGENOL-3-ACYLATES III AND INGENOL-3-CARBAMATES RXRB, RXRA, RXRG HCAR2 136/4885HDAC3 21/4885TNKS 3709/4885
US-20060105994-A1 Treatment of prostate cancer ACP3, KLK3, BPHL HCAR2 1674/4885HDAC3 1115/4885TNKS 1736/4885
US-20030171334-A1 Treatment of prostate cancer ACP3, KLK3, BPHL HCAR2 1674/4885HDAC3 1115/4885TNKS 1736/4885

“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.