SCHEMBL667627

SCHEMBL667627

CC(C(=O)Cl)C(C)(C)CC(=O)Cl

nearest known ligand 0.35

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.35
ALDH1A1 P00352 2/20 0.32
TP53 P04637 1/20 0.32

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
SCHEMBL27680767 0.84 TSHR (0.33) TSHRALDH1A1TP53
SCHEMBL23461210 0.83 TSHR (0.31) TSHR
Butane SCHEMBL27823163 0.79 TSHR (0.33) TSHRALDH1A1TP53
SCHEMBL7030923 0.74 TSHR (0.33) TSHRALDH1A1TP53
SCHEMBL11808185 0.74 TSHR (0.33) TSHRALDH1A1TP53
SCHEMBL8993587 0.73 TSHR (0.32) TSHRALDH1A1TP53
SCHEMBL16440916 0.71
SCHEMBL10874475 0.71
SCHEMBL28756874 0.70 TSHR (0.33) TSHRALDH1A1TP53
SCHEMBL10565960 0.69

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
EP-3796900-B1 TRITERPENE AMINE DERIVATIVES DFH THERAPEUTICS (US) 2026-04-08 EP disclosed
US-11236122-B2 Triterpene amine derivatives DFH THERAPEUTICS (US) 2022-02-01 US disclosed
US-20210253627-A1 TRITERPENE AMINE DERIVATIVES THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES 2021-08-19 US disclosed
EP-3796900-A1 TRITERPENE AMINE DERIVATIVES DFH Therapeutics (US) 2021-03-31 EP disclosed
US-20170096446-A1 Extended Triterpene Derivatives MYREXIS, INC. (US) 2017-04-06 US disclosed
US-9505800-B2 Extended triterpene derivatives MYREXIS, INC. (US) 2016-11-29 US disclosed
US-20120046291-A1 Extended Triterpene Derivatives MYREXIS, INC. 2012-02-23 US disclosed
EP-1828223-A4 NOVEL BETULIN DERIVATIVES, PREPARATION THEREOF AND USE THEREOF PANACOS PHARMACEUTICALS INC (US) 2009-03-11 EP disclosed
WO-2008057420-A2 EXTENDED TRITERPENE DERIVATIVES PANACOS PHARMACEUTICALS, INC. (US) 2008-05-15 WO disclosed
EP-1828223-A2 NOVEL BETULIN DERIVATIVES, PREPARATION THEREOF AND USE THEREOF Panacos Pharmaceuticals, Inc. (US) 2007-09-05 EP disclosed
US-20060205697-A1 Novel betulin derivatives, preparation thereof and use thereof MYREXIS, INC. 2006-09-14 US disclosed
WO-2006053255-A2 NOVEL BETULIN DERIVATIVES, PREPARATION THEREOF AND USE THEREOF PANACOS PHARMACEUTICALS, INC. (US) 2006-05-18 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 (5 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-20210253627-A1 TRITERPENE AMINE DERIVATIVES BET1, PGGT1B, NFATC1 TSHR 4117/4885ALDH1A1 3332/4885TP53 3185/4885
US-20060205697-A1 Novel betulin derivatives, preparation thereof and use thereof BET1, PGGT1B, TMPO TSHR 4184/4885ALDH1A1 2323/4885TP53 2136/4885
US-20170096446-A1 Extended Triterpene Derivatives BET1, PGGT1B, TMPO TSHR 4604/4885ALDH1A1 4419/4885TP53 3061/4885
US-20120046291-A1 Extended Triterpene Derivatives BET1, PGGT1B, TMPO TSHR 4604/4885ALDH1A1 4419/4885TP53 3061/4885
US-11236122-B2 Triterpene amine derivatives BET1, PGGT1B, NFATC1 TSHR 4117/4885ALDH1A1 3332/4885TP53 3185/4885

“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.