SCHEMBL29155518

SCHEMBL29155518

C=C(C=C(C)C)CCC=C(C)C

nearest known ligand 0.67

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.67
▸ KMT2A Q03164 3/20 0.48
▸ KDM4E B2RXH2 2/20 0.45
▸ ATM Q13315 1/20 0.45
▸ ALOX15 P16050 3/20 0.44
▸ MEN1 O00255 2/20 0.44
▸ CYP3A4 P08684 2/20 0.44
▸ POLB P06746 1/20 0.43
▸ MAPT P10636 2/20 0.43
▸ ALDH1A1 P00352 2/20 0.43
▸ UGT1A1 P22309 1/20 0.43
▸ SQLE Q14534 6/20 0.41

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
Myrcene SCHEMBL21622 0.80 TSHR (1.00) TSHRKMT2AKDM4EATMALOX15
Myrcene SCHEMBL3987529 0.80 TSHR (1.00) TSHRKMT2AKDM4EATMALOX15
Myrcene SCHEMBL1867602 0.80 TSHR (1.00) TSHRKMT2AKDM4EATMALOX15
SCHEMBL28649807 0.79 TSHR (0.53) TSHRKMT2AKDM4EATMALOX15
Myrcene SCHEMBL9709428 0.78 TSHR (0.95) TSHRKMT2AKDM4EATMALOX15
Myrcene SCHEMBL11291940 0.78 TSHR (0.95) TSHRKMT2AKDM4EATMALOX15
Myrcene SCHEMBL28396515 0.78 TSHR (0.95) TSHRKMT2AKDM4EATMALOX15
Myrcene SCHEMBL11311399 0.78 TSHR (0.95) TSHRKMT2AKDM4EATMALOX15
Myrcene SCHEMBL7011582 0.78 TSHR (0.95) TSHRKMT2AKDM4EATMALOX15
Myrcene SCHEMBL9709867 0.78 TSHR (0.95) TSHRKMT2AKDM4EATMALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4168383-B1 PROCESS FOR MAKING A CONJUGATED DIENE FROM AN ALLYL ALCOHOL GIVAUDAN SA (CH) 2024-07-31 — — EP claimed
US-20230322645-A1 PROCESS FOR MAKING A CONJUGATED DIENE FROM AN ALLYL ALCOHOL GIVAUDAN SA (CH) 2023-10-12 — — US claimed
EP-4168383-A1 PROCESS FOR MAKING A CONJUGATED DIENE FROM AN ALLYL ALCOHOL Givaudan SA (CH) 2023-04-26 — — EP claimed
CN-115996904-A Process for preparing conjugated dienes from allyl alcohol 奇华顿股份有限公司 2023-04-21 — — CN claimed
EP-4168383-A1 PROCESS FOR MAKING A CONJUGATED DIENE FROM AN ALLYL ALCOHOL Givaudan SA (CH) 2023-04-26 — — EP disclosed
CN-115996904-A Process for preparing conjugated dienes from allyl alcohol 奇华顿股份有限公司 2023-04-21 — — CN 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-20230322645-A1 PROCESS FOR MAKING A CONJUGATED DIENE FROM AN ALLYL ALCOHOL ADH1C, ADH1A, ADH5 TSHR 2518/4885KMT2A 1850/4885KDM4E 2909/4885

“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.

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