SCHEMBL17320338

SCHEMBL17320338

C[C@@H](c1ccccc1)[C@@H]1C[C@]1(C)C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 7/20 0.43
TSHR P16473 5/20 0.43
POLB P06746 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
LMNA P02545 2/20 0.40
ALDH1A1 P00352 2/20 0.40
HPGD P15428 1/20 0.39
EPHX2 P34913 1/20 0.39
CYP1A2 P05177 3/20 0.39
CYP2D6 P10635 3/20 0.39
CYP2C9 P11712 3/20 0.39
HTT P42858 1/20 0.38
MAPK1 P28482 1/20 0.38
KMT2A Q03164 1/20 0.38
CYP2C19 P33261 2/20 0.38
TP53 P04637 1/20 0.38

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
SCHEMBL17311743 0.77 CYP2D6 (0.39) POLBLMNAALDH1A1HPGDCYP2D6
SCHEMBL17311744 0.77 CYP2D6 (0.39) POLBLMNAALDH1A1HPGDCYP2D6
SCHEMBL17499960 0.77 CYP2D6 (0.39) POLBLMNAALDH1A1HPGDCYP2D6
SCHEMBL3387663 0.76 ALOX5 (0.42) POLBLMNAHPGDEPHX2KMT2A
SCHEMBL17311778 0.74 CYP3A4 (0.39) CYP3A4TSHRSMN1; SMN2LMNAALDH1A1
SCHEMBL18421568 0.74 CYP3A4 (0.39) CYP3A4TSHRSMN1; SMN2LMNAALDH1A1
SCHEMBL18421570 0.74 CYP3A4 (0.39) CYP3A4TSHRSMN1; SMN2LMNAALDH1A1
SCHEMBL16065902 0.74 CYP3A4 (0.39) CYP3A4TSHRSMN1; SMN2LMNAALDH1A1
SCHEMBL17311691 0.74 CYP3A4 (0.39) CYP3A4TSHRSMN1; SMN2LMNAALDH1A1
SCHEMBL17311690 0.74 CYP3A4 (0.39) CYP3A4TSHRSMN1; SMN2LMNAALDH1A1

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-9296675-B2 Compound having cyclopropane ring, and flavor and/or fragrance composition containing same TAKASAGO INTERNATIONAL CORPORATION (JP) 2016-03-29 US disclosed
US-9296675-B2 Compound having cyclopropane ring, and flavor and/or fragrance composition containing same TAKASAGO INTERNATIONAL CORPORATION (JP) 2016-03-29 US disclosed
US-20150353461-A1 COMPOUND HAVING CYCLOPROPANE RING, AND FLAVOR AND/OR FRAGRANCE COMPOSITION CONTAINING SAME TAKASAGO INTERNATIONAL CORPORATION (JP) 2015-12-10 US disclosed
US-20150353461-A1 COMPOUND HAVING CYCLOPROPANE RING, AND FLAVOR AND/OR FRAGRANCE COMPOSITION CONTAINING SAME TAKASAGO INTERNATIONAL CORPORATION (JP) 2015-12-10 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-20150353461-A1 COMPOUND HAVING CYCLOPROPANE RING, AND FLAVOR AND/OR FRAGRANCE COMPOSITION CONTAINING SAME CYC1, TAS2R1, WHR1 CYP3A4 101/4885TSHR 2673/4885POLB 3097/4885

“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.