SCHEMBL2247665

SCHEMBL2247665

C=CC(C)(O)c1ccc(C)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.48
CYP19A1 P11511 1/20 0.39
NPC1 O15118 1/20 0.37
MAPT P10636 1/20 0.37
RAB9A P51151 1/20 0.37
MLYCD O95822 1/20 0.37
ACHE P22303 2/20 0.36
TDP1 Q9NUW8 2/20 0.36
ATM Q13315 3/20 0.36
TGM2 P21980 1/20 0.35
CA1 P00915 2/20 0.34
MEN1 O00255 4/20 0.34
KMT2A Q03164 4/20 0.34
ALDH1A1 P00352 4/20 0.34
NR1H2 P55055 1/20 0.32
NR1H3 Q13133 1/20 0.32
PTGS1 P23219 1/20 0.32
PTGS2 P35354 1/20 0.32
CA2 P00918 1/20 0.32
CA5A P35218 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
SCHEMBL6263055 0.80 TSHR (0.46) TSHRCYP19A1NPC1MAPTRAB9A
SCHEMBL30193363 0.79 TSHR (0.44) TSHRCYP19A1NPC1MAPTRAB9A
SCHEMBL3284526 0.79 ALDH1A1 (0.43) TSHRMAPTKMT2AALDH1A1HTT
Hydrochloric Acid SCHEMBL30307707 0.77 ALDH1A1 (0.41) TSHRMAPTKMT2AALDH1A1HTT
SCHEMBL10778912 0.77 KIF11 (0.47) TSHRALDH1A1HPGDLMNA
SCHEMBL11507351 0.77 CYP2C9 (0.47) TSHRMAPTCA1KMT2AALDH1A1
SCHEMBL9858415 0.76 TSHR (0.52) TSHRCYP19A1NPC1MAPTRAB9A
SCHEMBL9163519 0.75 TSHR (0.50) TSHRCYP19A1NPC1MAPTRAB9A
SCHEMBL11489173 0.75 CYP17A1 (0.39) CYP19A1NPC1MAPTRAB9ACA1
SCHEMBL11854520 0.73 TSHR (0.55) TSHRCYP19A1NPC1MAPTRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9487734-B2 Perfuming ingredients of the floral and/or anis type FIRMENICH SA (CH) 2016-11-08 US disclosed
US-20140314699-A1 PERFUMING INGREDIENTS OF THE FLORAL AND/OR ANIS TYPE FIRMENICH SA (CH) 2014-10-23 US disclosed
US-8815792-B2 Perfuming ingredients of the floral and/or anis type FIRMENICH SA (CH) 2014-08-26 US disclosed
EP-2352809-B1 PERFUMING INGREDIENTS OF THE FLORAL AND/OR ANIS TYPE FIRMENICH & CIE (CH) 2012-09-19 EP disclosed
US-20110200546-A1 PERFUMING INGREDIENTS OF THE FLORAL AND/OR ANIS TYPE FIRMENICH SA (CH) 2011-08-18 US disclosed
EP-2352809-A1 PERFUMING INGREDIENTS OF THE FLORAL AND/OR ANIS TYPE Firmenich S.A. (CH) 2011-08-10 EP disclosed
WO-2010052635-A1 PERFUMING INGREDIENTS OF THE FLORAL AND/OR ANIS TYPE FIRMENICH SA (CH) 2010-05-14 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 (2 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-20110200546-A1 PERFUMING INGREDIENTS OF THE FLORAL AND/OR ANIS TYPE COXFA4, CCR4, AFF4 TSHR 4775/4885CYP19A1 1344/4885NPC1 2234/4885
US-20140314699-A1 PERFUMING INGREDIENTS OF THE FLORAL AND/OR ANIS TYPE COXFA4, CCR4, AFF4 TSHR 4775/4885CYP19A1 1344/4885NPC1 2234/4885

“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.