SCHEMBL601038

SCHEMBL601038

[CH2]C(CC=C)(CC=C)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.53
ALDH1A1 P00352 3/20 0.53
HTT P42858 1/20 0.50
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MAPT P10636 2/20 0.39
ATM Q13315 1/20 0.37
MAPK1 P28482 1/20 0.36
KCNN4 O15554 1/20 0.35
KDM4E B2RXH2 1/20 0.33
TAAR1 Q96RJ0 1/20 0.33
CYP2C9 P11712 2/20 0.33
CYP2C19 P33261 2/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP1A2 P05177 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
SCHEMBL7938315 0.86 ALDH1A1 (0.46) TSHRALDH1A1HTTKMT2AMEN1
SCHEMBL7740564 0.78 TSHR (0.55) TSHRALDH1A1HTTKMT2AMEN1
SCHEMBL5690296 0.78 TSHR (0.55) TSHRALDH1A1HTTKMT2AMEN1
SCHEMBL1862170 0.78 TSHR (0.55) TSHRALDH1A1HTTKMT2AMEN1
SCHEMBL30434815 0.76 HTT (0.55) TSHRALDH1A1HTTKMT2AMEN1
Ammonia Solution, Strong SCHEMBL11170544 0.76 TSHR (0.53) TSHRALDH1A1HTTKMT2AMEN1
SCHEMBL1501852 0.74 TAAR1 (0.52) TSHRALDH1A1HTTKMT2AMEN1
SCHEMBL1985443 0.74 ALDH1A1 (0.57) TSHRALDH1A1HTTKMT2AMEN1
SCHEMBL15644141 0.74 TSHR (0.52) TSHRALDH1A1HTTKMT2AMEN1
SCHEMBL2688608 0.74 HTT (0.53) TSHRALDH1A1HTTKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120040904-A1 Boronate Medicaments for Preventing Thrombosis During Surgery Trigen Holdings AG (GB) 2012-02-16 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 (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-20120040904-A1 Boronate Medicaments for Preventing Thrombosis During Surgery F9, FGB, TFPI TSHR 282/4885ALDH1A1 3387/4885HTT 4738/4885

“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.