SCHEMBL12558607

SCHEMBL12558607

CC(C)(C)CCCC(O)C(C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.46
RIPK1 Q13546 1/20 0.35
ACACB O00763 1/20 0.31
ACACA Q13085 1/20 0.31

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
SCHEMBL8895777 0.95 TSHR (0.42) TSHRRIPK1ACACBACACA
SCHEMBL12529435 0.86 TSHR (0.48) TSHRRIPK1
SCHEMBL26505643 0.86 TSHR (0.48) TSHRRIPK1
SCHEMBL25927321 0.86 TSHR (0.48) TSHRRIPK1
SCHEMBL5127678 0.85 TSHR (0.53) TSHRACACBACACA
Ammonia Solution, Strong SCHEMBL27469213 0.83 TSHR (0.46) TSHRRIPK1
SCHEMBL5029019 0.78 TSHR (0.59) TSHR
SCHEMBL5185774 0.78 TSHR (0.59) TSHR
SCHEMBL574359 0.78 TSHR (0.52) TSHR
SCHEMBL27489612 0.78 TSHR (0.46) TSHR

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-20170342054-A1 COMPOUNDS AND METHODS OF USE THEREOF ELDER AMY (US) 2017-11-30 US disclosed
US-20150284365-A1 COMPOUNDS AND METHODS OF USE THEREOF GALENEA CORPORATION (US) 2015-10-08 US disclosed
US-8912220-B2 Compounds and methods of use thereof Galenea Pharmaceuticals 2014-12-16 US disclosed
US-20110144090-A1 COMPOUNDS AND METHODS OF USE THEREOF GALENEA CORPORATION 2011-06-16 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 (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-20170342054-A1 COMPOUNDS AND METHODS OF USE THEREOF AANAT, HNMT, INMT TSHR 3368/4885RIPK1 2177/4885ACACB 433/4885
US-20150284365-A1 COMPOUNDS AND METHODS OF USE THEREOF AANAT, HNMT, INMT TSHR 3368/4885RIPK1 2177/4885ACACB 433/4885
US-20110144090-A1 COMPOUNDS AND METHODS OF USE THEREOF AANAT, HNMT, INMT TSHR 3368/4885RIPK1 2177/4885ACACB 433/4885

“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.