SCHEMBL686103

SCHEMBL686103

CCCCOc1ccc(C=O)cc1OC

nearest known ligand 0.81

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FDPS P14324 2/20 0.81
ALDH1A1 P00352 13/20 0.66
TSHR P16473 1/20 0.66
MAPT P10636 10/20 0.65
SMN1; SMN2 Q16637 5/20 0.65
LMNA P02545 3/20 0.65
NPSR1 Q6W5P4 2/20 0.65
HTT P42858 2/20 0.65
HPGD P15428 7/20 0.62
CYP2C9 P11712 3/20 0.61
NPC1 O15118 1/20 0.61
RAB9A P51151 1/20 0.61
CYP1A2 P05177 2/20 0.60
CYP2C19 P33261 2/20 0.60
HSP90AA1 P07900 1/20 0.60
L3MBTL1 Q9Y468 1/20 0.59
CYP2D6 P10635 1/20 0.59

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
SCHEMBL16067479 0.95 FDPS (0.74) FDPSALDH1A1TSHRMAPTSMN1; SMN2
SCHEMBL6963840 0.95 FDPS (0.79) FDPSALDH1A1TSHRMAPTSMN1; SMN2
SCHEMBL10417162 0.94 FDPS (0.77) FDPSALDH1A1TSHRMAPTSMN1; SMN2
SCHEMBL5689116 0.94 FDPS (0.77) FDPSALDH1A1TSHRMAPTSMN1; SMN2
SCHEMBL30360543 0.94 FDPS (0.77) FDPSALDH1A1TSHRMAPTSMN1; SMN2
SCHEMBL8907835 0.94 FDPS (0.77) FDPSALDH1A1TSHRMAPTSMN1; SMN2
SCHEMBL30360546 0.94 FDPS (0.77) FDPSALDH1A1TSHRMAPTSMN1; SMN2
SCHEMBL8310250 0.94 FDPS (0.77) FDPSALDH1A1TSHRMAPTSMN1; SMN2
SCHEMBL2818009 0.94 FDPS (0.77) FDPSALDH1A1TSHRMAPTSMN1; SMN2
SCHEMBL30360545 0.94 FDPS (0.77) FDPSALDH1A1TSHRMAPTSMN1; SMN2

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 137 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115245529-A Skin penetrating agent and external pain relieving medicine prepared from same 上海幼官健康管理有限公司 2022-10-28 CN claimed
CN-114042098-A Composition for expelling cold, eliminating dampness and relieving pain as well as preparation method and application thereof 蒋东海 2022-02-15 CN claimed
CN-215230476-U Nursing patch 北京永荣达控股集团有限公司 2021-12-21 CN claimed
CN-113754520-A Preparation method of vanillyl alcohol butyl ether 滕州市天水生物科技有限公司 2021-12-07 CN claimed
CN-113398136-A Ointment for relaxing tendons and activating collaterals and preparation method thereof 孟庆峰 2021-09-17 CN claimed
CN-113018220-A Chest essential oil and preparation method thereof 广州美璟生物科技有限公司 2021-06-25 CN claimed
CN-112245338-A Self-heating bath bubble and preparation method thereof 广州环亚化妆品科技有限公司 2021-01-22 CN claimed
CN-110882196-A Soothing vigor cream and preparation method thereof 北京极暖网络科技有限公司 2020-03-17 CN claimed
CN-110680864-A Externally applied moxibustion ointment and preparation method thereof 侯俊杰 2020-01-14 CN claimed
EP-2276356-B1 WARMING SENSATE COMPOSITION FIRMENICH & CIE (CH) 2013-06-19 EP claimed
CN-101155522-B Hot flavour and skin sensation composition FIRMENICH & CIE 2011-08-24 CN claimed
EP-2276356-A1 WARMING SENSATE COMPOSITION Firmenich S.A. (CH) 2011-01-26 EP claimed
US-20110015227-A1 WARMING SENSATE COMPOSITION FIRMENICH SA (CH) 2011-01-20 US claimed
WO-2009127992-A1 WARMING SENSATE COMPOSITION FIRMENICH SA (CH) 2009-10-22 WO claimed
CN-101155522-A Hot flavour and skin sensation composition FIRMENICH & CIE (CH) 2008-04-02 CN claimed
EP-1874132-A1 HOT FLAVOUR AND SKIN SENSATION COMPOSITION FIRMENICH SA (CH) 2008-01-09 EP claimed
US-20080000614-A1 HOT FLAVOR AND SKIN SENSATION COMPOSITION FIRMENICH SA (CH) 2008-01-03 US claimed
WO-2006109241-A1 HOT FLAVOUR AND SKIN SENSATION COMPOSITION FIRMENICH SA (CH) 2006-10-19 WO claimed
US-12030877-B2 Prostaglandin E synthase inhibitors and methods for utilizing the same UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION (US) 2024-07-09 US disclosed
US-4024274-A Benzylamine derivatives and process for preparing them HOECHST AKTIENGESELLSCHAFT (DT) 1977-05-17 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 (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-20110015227-A1 WARMING SENSATE COMPOSITION TAS1R3, TAS2R30, TAS2R50 FDPS 3580/4885ALDH1A1 1400/4885TSHR 626/4885
US-12030877-B2 Prostaglandin E synthase inhibitors and methods for utilizing the same PTGES, PTGS1, PTGES2 FDPS 203/4885ALDH1A1 474/4885TSHR 4366/4885

“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.