SCHEMBL5605811

SCHEMBL5605811

C=CCC(CCCCC)C(C)C

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.39
OPRM1 P35372 1/20 0.39
ALDH1A1 P00352 2/20 0.37
ADH1B P00325 1/20 0.35
ADH1C P00326 1/20 0.35
ADH1A P07327 1/20 0.35
ADH4 P08319 1/20 0.35
ADH7 P40394 1/20 0.35
GPR84 Q9NQS5 3/20 0.33
CA1 P00915 2/20 0.33
SPHK1 Q9NYA1 1/20 0.33
FFAR1 O14842 1/20 0.33
FAAH O00519 1/20 0.32
TP53 P04637 1/20 0.32
LMNA P02545 1/20 0.32
DNM1 Q05193 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
SCHEMBL11659142 0.93 TSHR (0.39) TSHROPRM1ALDH1A1DNM1
SCHEMBL9620315 0.84 TSHR (0.46) TSHROPRM1ALDH1A1ADH1BADH1C
SCHEMBL18638803 0.84 MMP9 (0.35) TSHRALDH1A1
SCHEMBL9445647 0.82 TSHR (0.40) TSHROPRM1ALDH1A1ADH1BADH1C
SCHEMBL11705357 0.81 TSHR (0.48) TSHROPRM1ALDH1A1ADH1BADH1C
SCHEMBL4303707 0.78 TSHR (0.40) TSHROPRM1ALDH1A1ADH1BADH1C
SCHEMBL564664 0.77 TSHR (0.42) TSHROPRM1ALDH1A1ADH1BADH1C
SCHEMBL1137386 0.77 OPRM1 (0.43) TSHROPRM1ALDH1A1SPHK1TP53
SCHEMBL19066475 0.77 TSHR (0.36) TSHRALDH1A1SPHK1FAAHDNM1
SCHEMBL21608634 0.77 TSHR (0.36) TSHRALDH1A1DNM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7256317-B2 subjecting olefin mixture to metathesis, separating olefins, dimerizing, derivatizing (via hydroformylation) after fractionation, then alkoxylating; BASF AKTIENGESELLSCHAFT (DE) 2007-08-14 US disclosed
US-20040186325-A1 subjecting olefin mixture to metathesis, separating olefins, dimerizing, derivatizing (via hydroformylation) after fractionation, then alkoxylating; BASF AKTIENGESELLSCHAFT (DE) 2004-09-23 US disclosed
US-6737553-B1 SUBJECTING A C4-OLEFIN MIXTURE TO METATHESIS, DIMERIZING, DERIVATIZING BASF AKTIENGESELLSCHAFT (DE) 2004-05-18 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-20040186325-A1 subjecting olefin mixture to metathesis, separating olefins, dimerizing, derivatizing (via hydroformylation) after fractionation, then alkoxylating; OSTC, ADH1C, PHOSPHO1 TSHR 3588/4885OPRM1 670/4885ALDH1A1 609/4885

“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.